Radicinin (C12H12O5)

Radicinin bmse001285 - Data

View large 3D structure

BMRB entry bmse001285

Entry DOI: doi:10.13018/BMSE001285
Data source: National Magnetic Resonance Facility at Madison - Maria Nesterova, Paulo F. Cobra, John L. Markley

NMR-STAR file:

bmse001285.str

NMR-STAR

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Structure file (mol/sdf):

bmse001285.mol

All files for

bmse001285

Time Domain Data:

bmse001285.zip

Sample and instrument details are given with the spectrum

Assigned chemical shifts

Set 1
Sample: 5mg in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Atom IDValueAmbiguity Code
C118.84861
C218.11841
C3141.15131
C4122.58941
C597.75291
C680.01611
C7164.34691
C8156.82791
C997.99531
C1072.01161
C11188.66031
C12176.38891
H181.9671
H191.9671
H201.9671
H211.65831
H221.65831
H231.65831
H246.97281
H256.05041
H265.85831
H274.36741
H284.00611

NMR experiments

1: 1D 1H
Sample: 5mg in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Array spectrum for 1
Download time domain data: bmse001285_1.zip

2: 2D 1H-1H TOCSY
Sample: 5mg in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Array spectrum for 2
Download time domain data: bmse001285_2.zip

3: 1D 13C
Sample: 5mg in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Array spectrum for 3
Download time domain data: bmse001285_3.zip

4: 1D DEPT90
Sample: 5mg in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Array spectrum for 4
Download time domain data: bmse001285_4.zip

5: 1D DEPT135
Sample: 5mg in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Array spectrum for 5
Download time domain data: bmse001285_5.zip

6: 2D 1H-13C HSQC
Sample: 5mg in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Array spectrum for 6
Download time domain data: bmse001285_6.zip

7: 2D 1H-13C HSQC SW small
Sample: 5mg in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Download time domain data: bmse001285_7.zip

8: 2D 1H-13C HMBC
Sample: 5mg in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Array spectrum for 8
Download time domain data: bmse001285_8.zip

9: 2D 1H-1H COSY
Sample: 5mg in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Array spectrum for 9
Download time domain data: bmse001285_9.zip

10: 2D 1H-13C HSQC-TOCSY-ADIA
Sample: 5mg in Chloroform-d, ref: TMS
Conditions: temperature: 298K
Spectrometer: Bruker Avance III - 500MHz

Array spectrum for 10
Download time domain data: bmse001285_10.zip