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(3aS*,4S*,6aS*)-3a-Methyl-4-prop-2'-ynyl-1,3,3a,4,5,6-hexahydro-pentalen-2(3H)-one
SpectraBase Compound ID 4HNs6M1ZCPs
InChI InChI=1S/C12H16O/c1-3-4-9-5-6-10-7-11(13)8-12(9,10)2/h1,9-10H,4-8H2,2H3/t9-,10+,12+/m1/s1
InChIKey SWPWZCNVQANUFC-SCVCMEIPSA-N
Mol Weight 176.26 g/mol
Molecular Formula C12H16O
Exact Mass 176.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LOCsGbUAMfX
Name (3aS*,4S*,6aS*)-3a-Methyl-4-prop-2'-ynyl-1,3,3a,4,5,6-hexahydro-pentalen-2(3H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O
InChI InChI=1S/C12H16O/c1-3-4-9-5-6-10-7-11(13)8-12(9,10)2/h1,9-10H,4-8H2,2H3/t9-,10+,12+/m1/s1
InChIKey SWPWZCNVQANUFC-SCVCMEIPSA-N
Molecular Weight 176.259 g/mol
SMILES [C@]12([C@](CC(C2)=O)(CC[C@]1(CC#C)[H])[H])C
SPLASH splash10-014i-9300000000-0eeaebf9989644341fac
Source of Spectrum K1-0-368-39
Synonyms (3aS,4S,6aS)-3a-methyl-4-(2-propynyl)hexahydro-2(1H)-pentalenone
Wiley ID 1588229