| SpectraBase Spectrum ID |
LrcMxBqV9HY |
| Name |
benzoic acid, 4-[[(2E)-2-cyano-1-oxo-3-(5-phenyl-2-furanyl)-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 |
414.157957192 u |
| Formula |
C25H22N2O4 |
| InChI |
InChI=1S/C25H22N2O4/c1-2-3-15-30-25(29)19-9-11-21(12-10-19)27-24(28)20(17-26)16-22-13-14-23(31-22)18-7-5-4-6-8-18/h4-14,16H,2-3,15H2,1H3,(H,27,28)/b20-16+ |
| InChIKey |
BZKRQOLRGNODRM-CAPFRKAQSA-N |
| Molecular Weight |
414.461 g/mol |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Sample State |
Soluted |
| Sample_ID |
1H_CB_2017_11973 |
| Solvent |
DMSO-d6 |
| Source |
Vendor ID: ZI/10016614; Lab Info: OBU; Lab Number: OBU-0000136 |
![benzoic acid, 4-[[(2E)-2-cyano-1-oxo-3-(5-phenyl-2-furanyl)-2-propenyl]amino]-, butyl ester](/api/spectrum/LrcMxBqV9HY/structure.png?h=300&w=458 "benzoic acid, 4-[[(2E)-2-cyano-1-oxo-3-(5-phenyl-2-furanyl)-2-propenyl]amino]-, butyl ester")
