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2-(allylthio)-5,6,7,8-tetrahydro-1H-quinazolin-4-one
SpectraBase Compound ID LOTOa3IT5ha
InChI InChI=1S/C11H14N2OS/c1-2-7-15-11-12-9-6-4-3-5-8(9)10(14)13-11/h2H,1,3-7H2,(H,12,13,14)
InChIKey UQEWGJOYJYUVRU-UHFFFAOYSA-N
Mol Weight 222.31 g/mol
Molecular Formula C11H14N2OS
Exact Mass 222.082684 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2qWJ1OvJDs
Name 2-(allylthio)-5,6,7,8-tetrahydro-1H-quinazolin-4-one
Alternate Name(s) 2-(prop-2-enylthio)-5,6,7,8-tetrahydro-1H-quinazolin-4-one 2-allylsulfanyl-5,6,7,8-tetrahydro-1H-quinazolin-4-one 2-prop-2-enylsulfanyl-5,6,7,8-tetrahydro-1H-quinazolin-4-one
Comments Less than 3 mono-isotopic peaks
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Formula C11H14N2OS
InChI InChI=1S/C11H14N2OS/c1-2-7-15-11-12-9-6-4-3-5-8(9)10(14)13-11/h2H,1,3-7H2,(H,12,13,14)
InChIKey UQEWGJOYJYUVRU-UHFFFAOYSA-N
Molecular Weight 222.306 g/mol
SMILES N1C(=NC=2CCCCC2C1=O)SCC=C
SPLASH splash10-0ab9-0090000000-f575e01c709ec6189dac
Source of Spectrum SO-0-744-2
Wiley ID 873771