Cis-fenpropimorph (C20H33NO)

View large 3D structure

BMRB entry bmse000628

Entry DOI: doi:10.13018/BMSE000628
Data source: Madison Metabolomics Consortium - Francisca Jofre, Mark E. Anderson, John L. Markley

NMR-STAR file:

bmse000628.str

NMR-STAR

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Structure file (mol/sdf):

bmse000628.mol

All files for

bmse000628

Time Domain Data:

bmse000628.zip

Sample and instrument details are given with the spectrum

Assigned chemical shifts

Set 1
Sample: Saturated1 in DMSO, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Atom IDAuthor NomenclatureValueAmbiguity Code
C12C364.8781
C15C431.8451
C13C560.1742
C14C659.8862
C16C771.4951
C17C871.4951
C11C940.4941
C1C1018.2581
C2C1119.4781
C3C1219.4781
C18C13138.0061
C20C1434.4931
C19C15148.2281
C7C16129.1711
C8C17129.1711
C9C18125.2031
C10C19125.2031
C4C2031.6941
C5C2131.6941
C6C2231.6941
H47H232.0671
H48H242.0671
H53H251.9351
H49H261.5304
H50H272.6854
H51H281.5304
H52H292.6854
H54H303.5391
H55H313.5391
H45H322.6854
H46H332.2204
H25H340.7581
H24H350.7581
H23H360.7581
H27H371.0321
H26H381.0321
H28H391.0321
H31H401.0321
H30H411.0321
H29H421.0321
H41H437.0661
H42H447.0661
H43H457.2711
H44H467.2711
H34H471.2561
H33H481.2561
H32H491.2561
H35H501.2561
H36H511.2561
H37H521.2561
H38H531.2561
H40H541.2561
H39H551.2561

NMR experiments

1: 1D 1H
Sample: Saturated1 in DMSO, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 1
Download time domain data: bmse000628_1.zip

2: 2D [1H,1H]-TOCSY
Sample: Saturated1 in DMSO, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 2
Download time domain data: bmse000628_2.zip

3: 1D 13C
Sample: Saturated1 in DMSO, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 3
Download time domain data: bmse000628_3.zip

4: 1D DEPT90
Sample: Saturated1 in DMSO, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 4
Download time domain data: bmse000628_4.zip

5: 1D DEPT135
Sample: Saturated1 in DMSO, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 5
Download time domain data: bmse000628_5.zip

6: 2D [1H,13C]-HSQC
Sample: Saturated1 in DMSO, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 6
Download time domain data: bmse000628_6.zip

7: 2D [1H,13C]-HMBC
Sample: Saturated1 in DMSO, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 7
Download time domain data: bmse000628_7.zip

8: 2D [1H,1H]-COSY
Sample: Saturated1 in DMSO, ref: TMS
Conditions: temperature: 298K, pH: n/a
Spectrometer: Bruker DMX - 500MHz

Array spectrum for 8
Download time domain data: bmse000628_8.zip