| SpectraBase Spectrum ID |
JaT4VfVw8Vf |
| Name |
benzoic acid, 4-[[(2E)-2-cyano-3-(1H-indol-3-yl)-1-oxo-2-propenyl]amino]-, butyl ester |
| Copyright |
Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
387.158291545 u |
| Formula |
C23H21N3O3 |
| InChI |
InChI=1S/C23H21N3O3/c1-2-3-12-29-23(28)16-8-10-19(11-9-16)26-22(27)17(14-24)13-18-15-25-21-7-5-4-6-20(18)21/h4-11,13,15,25H,2-3,12H2,1H3,(H,26,27)/b17-13+ |
| InChIKey |
KTLSJPKABPIFIN-GHRIWEEISA-N |
| Molecular Weight |
387.439 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_11989 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: ZI/10019702; Lab Info: OBU; Lab Number: OBU-0000093 |
![benzoic acid, 4-[[(2E)-2-cyano-3-(1H-indol-3-yl)-1-oxo-2-propenyl]amino]-, butyl ester](/api/spectrum/JaT4VfVw8Vf/structure.png?h=300&w=458 "benzoic acid, 4-[[(2E)-2-cyano-3-(1H-indol-3-yl)-1-oxo-2-propenyl]amino]-, butyl ester")
