2-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-3-methyl-4(3H)-quinazolinone

SpectraBase Compound ID	AufxDVixdwt
InChI	InChI=1S/C17H14N2O3S/c1-19-16(20)12-4-2-3-5-13(12)18-17(19)23-9-11-6-7-14-15(8-11)22-10-21-14/h2-8H,9-10H2,1H3
InChIKey	ZJVIINRFNCLMFW-UHFFFAOYSA-N Google Search
Mol Weight	326.37 g/mol
Molecular Formula	C17H14N2O3S
Exact Mass	326.072513 g/mol

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SpectraBase Spectrum ID	BCmxS1fICqn
Name	4(3H)-quinazolinone, 2-[(1,3-benzodioxol-5-ylmethyl)thio]-3-methyl-
Copyright	Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	326.072513490 u
Formula	C17H14N2O3S
InChI	InChI=1S/C17H14N2O3S/c1-19-16(20)12-4-2-3-5-13(12)18-17(19)23-9-11-6-7-14-15(8-11)22-10-21-14/h2-8H,9-10H2,1H3
InChIKey	ZJVIINRFNCLMFW-UHFFFAOYSA-N
Molecular Weight	326.370 g/mol
NMR Offset	18.0068
NMR Spectrometer Frequency	500.134
Observed nucleus	1H
Sample State	Soluted
Sample_ID	1H_CB_2017_13832
Solvent	DMSO-d6
Source	Vendor ID: NMR/10300378; Lab Info: LP; Lab Number: LP-2180939