| SpectraBase Spectrum ID |
3SyQzQwHjVC |
| Name |
benzoic acid, 3-[[(2E)-3-(1,3-benzodioxol-5-yl)-2-[(4-bromobenzoyl)amino]-1-oxo-2-propenyl]amino]-, methyl ester |
| Author |
A.V.Yarkov, IPAC, Russia |
| Copyright |
Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved. |
| InChI |
InChI=1S/C25H19BrN2O6/c1-32-25(31)17-3-2-4-19(13-17)27-24(30)20(28-23(29)16-6-8-18(26)9-7-16)11-15-5-10-21-22(12-15)34-14-33-21/h2-13H,14H2,1H3,(H,27,30)(H,28,29)/b20-11+ |
| InChIKey |
RXVMXHGUNNCFCP-RGVLZGJSSA-N |
| NMR Offset |
18.0068 |
| NMR Spectrometer Frequency |
500.134 |
| Observed nucleus |
1H |
| Origin |
1H_CB_3517_58 |
| Owner |
Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc. |
| Sample State |
soluted |
| Solvent |
DMSO-d6 |
| Source File Reference |
VendorID: NMR/10318289 |
![benzoic acid, 3-[[(2E)-3-(1,3-benzodioxol-5-yl)-2-[(4-bromobenzoyl)amino]-1-oxo-2-propenyl]amino]-, methyl ester](/api/spectrum/3SyQzQwHjVC/structure.png?h=300&w=458 "benzoic acid, 3-[[(2E)-3-(1,3-benzodioxol-5-yl)-2-[(4-bromobenzoyl)amino]-1-oxo-2-propenyl]amino]-, methyl ester")
