3-[(1Z)-3-amino-2-cyano-3-oxo-1-propenyl]-2,4,6-trimethylbenzyl acetate

SpectraBase Compound ID	HJGyx5omjJK
InChI	InChI=1S/C16H18N2O3/c1-9-5-10(2)15(8-21-12(4)19)11(3)14(9)6-13(7-17)16(18)20/h5-6H,8H2,1-4H3,(H2,18,20)/b13-6-
InChIKey	QTQVPQBTHHKSGL-MLPAPPSSSA-N Google Search
Mol Weight	286.33 g/mol
Molecular Formula	C16H18N2O3
Exact Mass	286.131742 g/mol

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SpectraBase Spectrum ID	8DWyDpQILjg
Name	3-[(1Z)-3-amino-2-cyano-3-oxo-1-propenyl]-2,4,6-trimethylbenzyl acetate
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/C16H18N2O3/c1-9-5-10(2)15(8-21-12(4)19)11(3)14(9)6-13(7-17)16(18)20/h5-6H,8H2,1-4H3,(H2,18,20)/b13-6-
InChIKey	QTQVPQBTHHKSGL-MLPAPPSSSA-N
NMR Offset	17.9116
NMR Spectrometer Frequency	500.077
Observed nucleus	1H
Origin	1H_SBI_36227_34288
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: 6175450; SBI_ID: SBI-034292
Synonyms	3-[3-amino-2-cyano-3-oxo-1-propenyl]-2,4,6-trimethylbenzyl acetate
Temperature	303 °C