2-Chloranyl-N-[(2-methyl-4-nitro-5-pyrrolidin-1-yl-phenyl)carbamothioyl]benzamide

SpectraBase Compound ID	5VaTR862k5u
InChI	InChI=1S/C19H19ClN4O3S/c1-12-10-17(24(26)27)16(23-8-4-5-9-23)11-15(12)21-19(28)22-18(25)13-6-2-3-7-14(13)20/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H2,21,22,25,28)
InChIKey	UYASTMZOITYBAK-UHFFFAOYSA-N Google Search
Mol Weight	418.9 g/mol
Molecular Formula	C19H19ClN4O3S
Exact Mass	418.086639 g/mol

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SpectraBase Spectrum ID	AfVbrsb3vkC
Name	thiourea, N-(2-chlorobenzoyl)-N'-[2-methyl-4-nitro-5-(1-pyrrolidinyl)phenyl]-
Copyright	Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	418.086639359 u
Formula	C19H19ClN4O3S
InChI	InChI=1S/C19H19ClN4O3S/c1-12-10-17(24(26)27)16(23-8-4-5-9-23)11-15(12)21-19(28)22-18(25)13-6-2-3-7-14(13)20/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H2,21,22,25,28)
InChIKey	UYASTMZOITYBAK-UHFFFAOYSA-N
Molecular Weight	418.899 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_16295
Solvent	DMSO-d6
Source	Vendor ID: NMR/11211696; Lab Info: LP; Lab Number: LP-2501649