For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-({(2E)-3-[5-(4-chloro-2-nitrophenyl)-2-furyl]-2-cyano-2-propenoyl}amino)benzoic acid
SpectraBase Compound ID HvoBdIoNpYK
InChI InChI=1S/C21H12ClN3O6/c22-13-5-7-16(18(10-13)25(29)30)19-8-6-14(31-19)9-12(11-23)20(26)24-17-4-2-1-3-15(17)21(27)28/h1-10H,(H,24,26)(H,27,28)/b12-9+
InChIKey NDXDZAFTXXGXJF-FMIVXFBMSA-N
Mol Weight 437.8 g/mol
Molecular Formula C21H12ClN3O6
Exact Mass 437.041463 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 7MvGhWEQOx6
Name 2-({(2E)-3-[5-(4-chloro-2-nitrophenyl)-2-furyl]-2-cyano-2-propenoyl}amino)benzoic 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/C21H12ClN3O6/c22-13-5-7-16(18(10-13)25(29)30)19-8-6-14(31-19)9-12(11-23)20(26)24-17-4-2-1-3-15(17)21(27)28/h1-10H,(H,24,26)(H,27,28)/b12-9+
InChIKey NDXDZAFTXXGXJF-FMIVXFBMSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_7645
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: 9434958; UBI_ID: UBI-007648
Synonyms 2-({3-[5-(4-chloro-2-nitrophenyl)-2-furyl]-2-cyano-2-propenoyl}amino)benzoic acid
Temperature 308 °C