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2-METHYLTHIO-6-(PHENYLSULFONYL)-5,6,7,8-TETRAHYDRO-3H-QUINAZOLIN-4-ONE
SpectraBase Compound ID DOteddnkFPC
InChI InChI=1S/C15H16N2O3S2/c1-21-15-16-13-8-7-11(9-12(13)14(18)17-15)22(19,20)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,16,17,18)
InChIKey SMQZAQFOIQEUEF-UHFFFAOYSA-N
Mol Weight 336.42 g/mol
Molecular Formula C15H16N2O3S2
Exact Mass 336.060235 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F9R15h2UyST
Name 2-methylsulfanyl-6-(phenylsulfonyl)-5,6,7,8-tetrahydro-1H-quinazolin-4-one
Comments Less than 3 mono-isotopic peaks
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Formula C15H16N2O3S2
InChI InChI=1S/C15H16N2O3S2/c1-21-15-16-13-8-7-11(9-12(13)14(18)17-15)22(19,20)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,16,17,18)
InChIKey SMQZAQFOIQEUEF-UHFFFAOYSA-N
Molecular Weight 336.424 g/mol
SMILES N1C(C2=C(N=C1SC)CCC(C2)S(=O)(=O)c1ccccc1)=O
SPLASH splash10-0006-0900000000-50b042537f89c4100e33
Source of Spectrum K1-0-2759-12
Synonyms 6-(benzenesulfonyl)-2-(methylthio)-5,6,7,8-tetrahydro-1H-quinazolin-4-one 6-(benzenesulfonyl)-2-methylsulfanyl-5,6,7,8-tetrahydro-1H-quinazolin-4-one 6-besyl-2-(methylthio)-5,6,7,8-tetrahydro-1H-quinazolin-4-one
Wiley ID 1588972