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 Google Search
Mol Weight	417.39 g/mol
Molecular Formula	C18H15N3O7S
Exact Mass	417.063071 g/mol

View the Full Spectrum for FREE!

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