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

*Links on SpectraBase are not permalinks.
4-[(1E)-3-amino-2-cyano-3-oxo-1-propenyl]-2-ethoxyphenyl 2-nitrobenzenesulfonate
SpectraBase Compound ID KYboaay5XLb
InChI InChI=1S/C18H15N3O7S/c1-2-27-16-10-12(9-13(11-19)18(20)22)7-8-15(16)28-29(25,26)17-6-4-3-5-14(17)21(23)24/h3-10H,2H2,1H3,(H2,20,22)/b13-9+
InChIKey XIDVMJGGYMDFRR-UKTHLTGXSA-N
Mol Weight 417.39 g/mol
Molecular Formula C18H15N3O7S
Exact Mass 417.063071 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 6QF1pltdcJD
Name 4-[(1E)-3-amino-2-cyano-3-oxo-1-propenyl]-2-ethoxyphenyl 2-nitrobenzenesulfonate
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/C18H15N3O7S/c1-2-27-16-10-12(9-13(11-19)18(20)22)7-8-15(16)28-29(25,26)17-6-4-3-5-14(17)21(23)24/h3-10H,2H2,1H3,(H2,20,22)/b13-9+
InChIKey XIDVMJGGYMDFRR-UKTHLTGXSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_1038
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: /VSVE61623; UBI_ID: UBI-001039
Synonyms 4-[3-amino-2-cyano-3-oxo-1-propenyl]-2-ethoxyphenyl 2-nitrobenzenesulfonate
Temperature 318 °C