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2-(But-2-enylthio)tetrahydrobenzo[d]pyrimidin-4-one
SpectraBase Compound ID 3WrwikhZ5RH
InChI InChI=1S/C12H16N2OS/c1-2-3-8-16-12-13-10-7-5-4-6-9(10)11(15)14-12/h2-3H,4-8H2,1H3,(H,13,14,15)/b3-2+
InChIKey MNGRODKACKKHEP-NSCUHMNNSA-N
Mol Weight 236.33 g/mol
Molecular Formula C12H16N2OS
Exact Mass 236.098334 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CTOyCwATBUe
Name 2-(But-2-enylthio)tetrahydrobenzo[d]pyrimidin-4-one
Comments Less than 3 mono-isotopic peaks
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Formula C12H16N2OS
InChI InChI=1S/C12H16N2OS/c1-2-3-8-16-12-13-10-7-5-4-6-9(10)11(15)14-12/h2-3H,4-8H2,1H3,(H,13,14,15)/b3-2+
InChIKey MNGRODKACKKHEP-NSCUHMNNSA-N
Molecular Weight 236.333 g/mol
SMILES N1C(=NC=2CCCCC2C1=O)SC\C=C\C
SPLASH splash10-0udi-0090000000-059bf25fe981352148a9
Source of Spectrum SO-0-744-3
Synonyms 2-[(2E)-2-butenylsulfanyl]-2,3,4a,8a-tetrahydro-4(1H)-quinazolinone 2-[(E)-but-2-enyl]sulfanyl-5,6,7,8-tetrahydro-1H-quinazolin-4-one
Wiley ID 873764