Dl-Indole-3-lactic Acid (C11H11NO3)
BMRB entry bmse000409
Entry DOI: doi:10.13018/BMSE000409
Data source: Madison Metabolomics Consortium - Qiu Cui, Ian Lewis, Francisca Jofre, Mark E. Anderson, John L. Markley
NMR-STAR file:
bmse000409.strNMR-STAR
interactive viewerStructure file (mol/sdf):
bmse000409.molAll files for
bmse000409Time Domain Data:
bmse000409.zipView the GISSMO record for this entry.
Sample and instrument details are given with the spectrum
Assigned chemical shifts
Set 1
Sample: SaturatedmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
| Atom ID | Author Nomenclature | Value | Ambiguity Code |
|---|---|---|---|
| C7 | C5 | 113.266 | 1 |
| C5 | C6 | 32.795 | 1 |
| C8 | C7 | 129.95 | 1 |
| C9 | C8 | 138.811 | 1 |
| C10 | C9 | 74.401 | 1 |
| C6 | C10 | 126.93 | 1 |
| C3 | C11 | 121.584 | 1 |
| C4 | C12 | 114.418 | 1 |
| C1 | C13 | 121.742 | 1 |
| C2 | C14 | 124.397 | 1 |
| C11 | C15 | 183.847 | 1 |
| H20 | H16 | 3.252 | 2 |
| H21 | H17 | 3.061 | 2 |
| H23 | H18 | 4.331 | 1 |
| H22 | H19 | 7.236 | 4 |
| H18 | H21 | 7.741 | 1 |
| H19 | H22 | 7.494 | 1 |
| H16 | H23 | 7.156 | 1 |
| H17 | H24 | 7.236 | 4 |
NMR experiments
1: 1D 1H
Sample: SaturatedmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
2: 2D [1H,1H]-TOCSY
Sample: SaturatedmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
![Spectrum for experiment #2: 2D [1H,1H]-TOCSY](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000409/nmr/set01/spectra/HH_TOCSY.png)
3: 1D 13C
Sample: SaturatedmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
4: 1D DEPT90
Sample: SaturatedmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
5: 1D DEPT135
Sample: SaturatedmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
6: 2D [1H,13C]-HSQC
Sample: SaturatedmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
![Spectrum for experiment #6: 2D [1H,13C]-HSQC](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000409/nmr/set01/spectra/1H_13C_HSQC.png)
7: 2D [1H,13C]-HMBC
Sample: SaturatedmM in D2O, ref: DSS
Conditions: temperature: 298K, pH: 7.4
Spectrometer: Bruker DMX - 500MHz
![Spectrum for experiment #7: 2D [1H,13C]-HMBC](/ftp/pub/bmrb/metabolomics/entry_directories/bmse000409/nmr/set01/spectra/1H_13C_HMBC.png)