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3-(4-Butylsulfanyl-phenyl)-3H-quinazolin-4-one
SpectraBase Compound ID 9bf2GvP7wnG
InChI InChI=1S/C18H18N2OS/c1-2-3-12-22-15-10-8-14(9-11-15)20-13-19-17-7-5-4-6-16(17)18(20)21/h4-11,13H,2-3,12H2,1H3
InChIKey YHKYMXGRFCJUDD-UHFFFAOYSA-N
Mol Weight 310.42 g/mol
Molecular Formula C18H18N2OS
Exact Mass 310.113984 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6wsHmk3dtj1
Name 3-(4-Butylsulfanyl-phenyl)-3H-quinazolin-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18N2OS
InChI InChI=1S/C18H18N2OS/c1-2-3-12-22-15-10-8-14(9-11-15)20-13-19-17-7-5-4-6-16(17)18(20)21/h4-11,13H,2-3,12H2,1H3
InChIKey YHKYMXGRFCJUDD-UHFFFAOYSA-N
Molecular Weight 310.415 g/mol
SMILES c1cc2N=CN(C(c2cc1)=O)c1ccc(cc1)SCCCC
SPLASH splash10-0w4i-8954000000-4608ce838d38a88b99fd
Synonyms 3-(4-butylsulfanylphenyl)quinazolin-4-one 3-[4-(Butylsulfanyl)phenyl]-4(3H)-quinazolinone 3-[4-(butylthio)phenyl]-4-quinazolinone 3-[4-(butylthio)phenyl]quinazolin-4-one
Wiley ID 1462115