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4,5,6,6a-tetrahydro-1H-pentalen-2-one
SpectraBase Compound ID FIC6APRdKKL
InChI InChI=1S/C8H10O/c9-8-4-6-2-1-3-7(6)5-8/h4,7H,1-3,5H2
InChIKey OWBPKUZFLHCXCR-UHFFFAOYSA-N
Mol Weight 122.17 g/mol
Molecular Formula C8H10O
Exact Mass 122.073165 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6lLUrdHvetv
Name 3a,4,5,6-Tetrahydro-2(3H)-pentalenone
Alternate Name(s) 4,5,6,6a-tetrahydro-1H-pentalen-2-one 4,5,6,6a-Tetrahydro-2(1H)-pentalenone Bicyclo[3.3.0]oct-1(2)-en-3-one Bicyclo[3.3.0]oct-1-en-3-one
CAS Registry Number 72200-41-0
Comments Less than 3 mono-isotopic peaks
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Formula C8H10O
InChI InChI=1S/C8H10O/c9-8-4-6-2-1-3-7(6)5-8/h4,7H,1-3,5H2
InChIKey OWBPKUZFLHCXCR-UHFFFAOYSA-N
Molecular Weight 122.167 g/mol
SMILES C1CC2CC(=O)C=C2C1
SPLASH splash10-00di-0900000000-7b61aac6d4050ee49b18
Source of Spectrum J-52-4812-9
Wiley ID 1128126