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6-({(2E)-3-(1,3-benzodioxol-5-yl)-2-[(4-bromobenzoyl)amino]-2-propenoyl}amino)hexanoic acid
SpectraBase Compound ID KBS6BsxmfWR
InChI InChI=1S/C23H23BrN2O6/c24-17-8-6-16(7-9-17)22(29)26-18(23(30)25-11-3-1-2-4-21(27)28)12-15-5-10-19-20(13-15)32-14-31-19/h5-10,12-13H,1-4,11,14H2,(H,25,30)(H,26,29)(H,27,28)/b18-12+
InChIKey KFOFWRFWGVVFBS-LDADJPATSA-N
Mol Weight 503.35 g/mol
Molecular Formula C23H23BrN2O6
Exact Mass 502.073949 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID rc8opV3lyc
Name 6-({(2E)-3-(1,3-benzodioxol-5-yl)-2-[(4-bromobenzoyl)amino]-2-propenoyl}amino)hexanoic acid
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/C23H23BrN2O6/c24-17-8-6-16(7-9-17)22(29)26-18(23(30)25-11-3-1-2-4-21(27)28)12-15-5-10-19-20(13-15)32-14-31-19/h5-10,12-13H,1-4,11,14H2,(H,25,30)(H,26,29)(H,27,28)/b18-12+
InChIKey KFOFWRFWGVVFBS-LDADJPATSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_11247
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: 802425; Labnumber: AEGU8-1659; VK_ID: VK-011251
Synonyms 6-({3-(1,3-benzodioxol-5-yl)-2-[(4-bromobenzoyl)amino]-2-propenoyl}amino)hexanoic acid
Temperature 308 °C