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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
Mol Weight 326.37 g/mol
Molecular Formula C17H14N2O3S
Exact Mass 326.072513 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6ZBwQ1ty1ku
Name 2-[(1,3-Benzodioxol-5-ylmethyl)sulfanyl]-3-methyl-4(3H)-quinazolinone
CAS Registry Number 346641-71-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
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
SMILES c1ccc2C(N(C(=Nc2c1)SCc1cc2OCOc2cc1)C)=O
SPLASH splash10-000i-3900000000-f55aa69ec8b73d132865
Synonyms 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-3-methyl-quinazolin-4-one 2-(1,3-benzodioxol-5-ylmethylthio)-3-methyl-4-quinazolinone 2-(Benzo[1,3]dioxol-5-ylmethylsulfanyl)-3-methyl-3H-quinazolin-4-one 3-Methyl-2-(piperonylthio)quinazolin-4-one
Wiley ID 1460804