2-Benzylsulfanyl-5-cyano-4-oxo-3-aza-spiro[5.5]undec-1-ene-1-carboxylic acid ethyl ester

SpectraBase Compound ID	FVsOSsFDMB8
InChI	InChI=1S/C21H24N2O3S/c1-2-26-20(25)17-19(27-14-15-9-5-3-6-10-15)23-18(24)16(13-22)21(17)11-7-4-8-12-21/h3,5-6,9-10,16H,2,4,7-8,11-12,14H2,1H3,(H,23,24)
InChIKey	VKAJPGBURVJVNI-UHFFFAOYSA-N Google Search
Mol Weight	384.49 g/mol
Molecular Formula	C21H24N2O3S
Exact Mass	384.150764 g/mol

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SpectraBase Spectrum ID	F3twed44xHN
Name	3-azaspiro[5.5]undec-1-ene-1-carboxylic acid, 5-cyano-4-oxo-2-[(phenylmethyl)thio]-, ethyl ester
Copyright	Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	384.150763812 u
Formula	C21H24N2O3S
InChI	InChI=1S/C21H24N2O3S/c1-2-26-20(25)17-19(27-14-15-9-5-3-6-10-15)23-18(24)16(13-22)21(17)11-7-4-8-12-21/h3,5-6,9-10,16H,2,4,7-8,11-12,14H2,1H3,(H,23,24)
InChIKey	VKAJPGBURVJVNI-UHFFFAOYSA-N
Molecular Weight	384.494 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_17246
Solvent	DMSO-d6
Source	Vendor ID: NMR/10322277; Lab Info: DVD; Lab Number: DVD-0120109