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2-[(E)-but-2-enyl]sulfanyl-6-methyl-1H-quinazolin-4-one
SpectraBase Compound ID CWdYksaD1JI
InChI InChI=1S/C13H14N2OS/c1-3-4-7-17-13-14-11-6-5-9(2)8-10(11)12(16)15-13/h3-6,8H,7H2,1-2H3,(H,14,15,16)/b4-3+
InChIKey QRKGMTLTAWRCID-ONEGZZNKSA-N
Mol Weight 246.33 g/mol
Molecular Formula C13H14N2OS
Exact Mass 246.082684 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4WW7XUnNTUl
Name 2-[(E)-but-2-enyl]sulfanyl-6-methyl-1H-quinazolin-4-one
Alternate Name(s) 2-[[(E)-but-2-enyl]thio]-6-methyl-1H-quinazolin-4-one
Comments Less than 3 mono-isotopic peaks
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Formula C13H14N2OS
InChI InChI=1S/C13H14N2OS/c1-3-4-7-17-13-14-11-6-5-9(2)8-10(11)12(16)15-13/h3-6,8H,7H2,1-2H3,(H,14,15,16)/b4-3+
InChIKey QRKGMTLTAWRCID-ONEGZZNKSA-N
Molecular Weight 246.328 g/mol
SMILES N1c2ccc(cc2C(N=C1SC\C=C\C)=O)C
SPLASH splash10-03di-0090000000-6d7ec7e361e3b089905c
Source of Spectrum SO-0-744-3
Wiley ID 873767