5,10,15,20-Tetraphenyl-21H,23H-porphine Zinc (C44H28N4Zn)
BMRB entry bmse001106
Entry DOI: doi:10.13018/BMSE001106
Data source: National Magnetic Resonance Facility at Madison - Maria Nesterova, Lawrence J. Clos, Christopher Stancic, Mark E. Anderson, John L. Markley
NMR-STAR file:
bmse001106.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse001106.molAll files for
bmse001106Time Domain Data:
bmse001106.zipView the GISSMO record for this entry.
Sample and instrument details are given with the spectrum
Assigned chemical shifts
Set 1
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
| Atom ID | Value | Ambiguity Code |
|---|---|---|
| C33 | 150.1565 | 1 |
| C35 | 150.1565 | 1 |
| C38 | 150.1565 | 1 |
| C40 | 150.1565 | 1 |
| C42 | 121.1012 | 1 |
| C41 | 121.1012 | 1 |
| C44 | 121.1012 | 1 |
| C43 | 121.1012 | 1 |
| C23 | 131.9587 | 1 |
| C21 | 131.9587 | 1 |
| C28 | 131.9587 | 1 |
| C26 | 131.9587 | 1 |
| C37 | 150.1565 | 1 |
| C34 | 150.1565 | 1 |
| C39 | 150.1565 | 1 |
| C36 | 150.1565 | 1 |
| C29 | 142.7498 | 1 |
| C30 | 142.7498 | 1 |
| C31 | 142.7498 | 1 |
| C32 | 142.7498 | 1 |
| C22 | 131.9587 | 1 |
| C25 | 131.9587 | 1 |
| C24 | 131.9587 | 1 |
| C27 | 131.9587 | 1 |
| C13 | 134.3822 | 1 |
| C15 | 134.3822 | 1 |
| C14 | 134.3822 | 1 |
| C16 | 134.3822 | 1 |
| C17 | 134.3822 | 1 |
| C19 | 134.3822 | 1 |
| C18 | 134.3822 | 1 |
| C20 | 134.3822 | 1 |
| C5 | 126.5123 | 1 |
| C7 | 126.5123 | 1 |
| C6 | 126.5123 | 1 |
| C8 | 126.5123 | 1 |
| C9 | 126.5123 | 1 |
| C11 | 126.5123 | 1 |
| C10 | 126.5123 | 1 |
| C12 | 126.5123 | 1 |
| C1 | 127.4563 | 1 |
| C2 | 127.4563 | 1 |
| C3 | 127.4563 | 1 |
| C4 | 127.4563 | 1 |
| H71 | 8.9511 | 1 |
| H69 | 8.9511 | 1 |
| H76 | 8.9511 | 1 |
| H74 | 8.9511 | 1 |
| H70 | 8.9511 | 1 |
| H73 | 8.9511 | 1 |
| H72 | 8.9511 | 1 |
| H75 | 8.9511 | 1 |
| H61 | 8.2237 | 1 |
| H63 | 8.2237 | 1 |
| H62 | 8.2237 | 1 |
| H64 | 8.2237 | 1 |
| H65 | 8.2237 | 1 |
| H67 | 8.2237 | 1 |
| H66 | 8.2237 | 1 |
| H68 | 8.2237 | 1 |
| H53 | 7.7502 | 1 |
| H55 | 7.7502 | 1 |
| H54 | 7.7502 | 1 |
| H56 | 7.7502 | 1 |
| H57 | 7.7502 | 1 |
| H59 | 7.7502 | 1 |
| H58 | 7.7502 | 1 |
| H60 | 7.7502 | 1 |
| H49 | 7.7687 | 1 |
| H50 | 7.7687 | 1 |
| H51 | 7.7687 | 1 |
| H52 | 7.7687 | 1 |
NMR experiments
1: 1D 1H
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
2: 2D 1H-1H TOCSY
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
3: 1D 13C
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
4: 1D DEPT90
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
5: 1D DEPT135
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
6: 2D 1H-13C HSQC
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
7: 2D 1H-13C HSQC SW small
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
8: 2D 1H-13C HMBC
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
9: 2D 1H-1H COSY
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
10: 2D 1H-13C HSQC-TOCSY-ADIA
Sample: 100mM in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz
