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N-{(2E)-3-(1,3-benzodioxol-5-yl)-2-[(4-bromobenzoyl)amino]-2-propenoyl}-beta-alanine
SpectraBase Compound ID 7VeN3Gu5Wuh
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
Mol Weight 461.27 g/mol
Molecular Formula C20H17BrN2O6
Exact Mass 460.026999 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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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