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2-[(E)-but-2-enyl]sulfanyl-1H-quinazolin-4-one
SpectraBase Compound ID GOSrr8wsYSa
InChI InChI=1S/C12H12N2OS/c1-2-3-8-16-12-13-10-7-5-4-6-9(10)11(15)14-12/h2-7H,8H2,1H3,(H,13,14,15)/b3-2+
InChIKey YWUNNGGVQSGKEP-NSCUHMNNSA-N
Mol Weight 232.3 g/mol
Molecular Formula C12H12N2OS
Exact Mass 232.067034 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BrsEnkEUpC1
Name 2-[(E)-but-2-enyl]sulfanyl-1H-quinazolin-4-one
Alternate Name(s) 2-[[(E)-but-2-enyl]thio]-1H-quinazolin-4-one
Comments Less than 3 mono-isotopic peaks
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Formula C12H12N2OS
InChI InChI=1S/C12H12N2OS/c1-2-3-8-16-12-13-10-7-5-4-6-9(10)11(15)14-12/h2-7H,8H2,1H3,(H,13,14,15)/b3-2+
InChIKey YWUNNGGVQSGKEP-NSCUHMNNSA-N
Molecular Weight 232.301 g/mol
SMILES N1C(=Nc2ccccc2C1=O)SC\C=C\C
SPLASH splash10-0002-0960000000-902cbf2e323b13a32bbb
Source of Spectrum SO-0-744-3
Wiley ID 873768