| SpectraBase Spectrum ID |
Jj5WG2rY1ci |
| Name |
N-{(2E)-3-(1,3-benzodioxol-5-yl)-2-[(4-bromobenzoyl)amino]-2-propenoyl}-beta-alanine |
| 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/C20H17BrN2O6/c21-14-4-2-13(3-5-14)19(26)23-15(20(27)22-8-7-18(24)25)9-12-1-6-16-17(10-12)29-11-28-16/h1-6,9-10H,7-8,11H2,(H,22,27)(H,23,26)(H,24,25)/b15-9+ |
| InChIKey |
HTYYOOHBTVRZKK-OQLLNIDSSA-N |
| NMR Offset |
15.3537 |
| NMR Spectrometer Frequency |
300.135 |
| Observed nucleus |
1H |
| Origin |
1H_UBI-VK_18310_11248 |
| 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: 802423; Labnumber: AEGU8-1657; VK_ID: VK-011252 |
| Synonyms |
N-{3-(1,3-benzodioxol-5-yl)-2-[(4-bromobenzoyl)amino]-2-propenoyl}-beta-alanine |
| Temperature |
308 °C |
![N-{(2E)-3-(1,3-benzodioxol-5-yl)-2-[(4-bromobenzoyl)amino]-2-propenoyl}-beta-alanine](/api/spectrum/Jj5WG2rY1ci/structure.png?h=300&w=458 "N-{(2E)-3-(1,3-benzodioxol-5-yl)-2-[(4-bromobenzoyl)amino]-2-propenoyl}-beta-alanine")
