benzoic acid, 4-(4,5-dihydro-4,4-dimethyl-1-thioxoisothiazolo[5,4-c]quinolin-2(1H)-yl)-, ethyl ester

SpectraBase Compound ID	L3cq4vK28su
InChI	InChI=1S/C21H20N2O2S2/c1-4-25-20(24)13-9-11-14(12-10-13)23-19(26)17-15-7-5-6-8-16(15)22-21(2,3)18(17)27-23/h5-12,22H,4H2,1-3H3
InChIKey	FXFHDAQGBPYIQA-UHFFFAOYSA-N Google Search
Mol Weight	396.52 g/mol
Molecular Formula	C21H20N2O2S2
Exact Mass	396.09662 g/mol

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SpectraBase Spectrum ID	JmMcriIBBsF
Name	benzoic acid, 4-(4,5-dihydro-4,4-dimethyl-1-thioxoisothiazolo[5,4-c]quinolin-2(1H)-yl)-, ethyl ester
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/C21H20N2O2S2/c1-4-25-20(24)13-9-11-14(12-10-13)23-19(26)17-15-7-5-6-8-16(15)22-21(2,3)18(17)27-23/h5-12,22H,4H2,1-3H3
InChIKey	FXFHDAQGBPYIQA-UHFFFAOYSA-N
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Origin	1H_CB3_9000_3386
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: NMR/11278254