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2-[(E)-but-2-enyl]sulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SpectraBase Compound ID 82Q7P3pxcVx
InChI InChI=1S/C11H14N2OS/c1-2-3-7-15-11-12-9-6-4-5-8(9)10(14)13-11/h2-3H,4-7H2,1H3,(H,12,13,14)/b3-2+
InChIKey WNGHJADHLITNLT-NSCUHMNNSA-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 69lSYqR9rcT
Name 2-[(E)-but-2-enyl]sulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
Alternate Name(s) 2-[[(E)-but-2-enyl]thio]-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
Comments Less than 3 mono-isotopic peaks
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Formula C11H14N2OS
InChI InChI=1S/C11H14N2OS/c1-2-3-7-15-11-12-9-6-4-5-8(9)10(14)13-11/h2-3H,4-7H2,1H3,(H,12,13,14)/b3-2+
InChIKey WNGHJADHLITNLT-NSCUHMNNSA-N
Molecular Weight 222.306 g/mol
SMILES N1C(=NC=2CCCC2C1=O)SC\C=C\C
SPLASH splash10-000i-0930000000-0d49901a0c3266b9b9b4
Source of Spectrum SO-0-744-3
Wiley ID 873765