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1(2H)-Pentalenone, hexahydro-3,6a-dimethyl-, (3.alpha.,3a.beta.,6a.beta.)-(.+-.)-
SpectraBase Compound ID kvnNrLRmQA
InChI InChI=1S/C10H16O/c1-7-6-9(11)10(2)5-3-4-8(7)10/h7-8H,3-6H2,1-2H3/t7-,8-,10-/m0/s1
InChIKey IOFNUUZJLWZVGK-NRPADANISA-N
Mol Weight 152.24 g/mol
Molecular Formula C10H16O
Exact Mass 152.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fdappf8Tpc4
Name 1(2H)-Pentalenone, hexahydro-3,6a-dimethyl-, (3.alpha.,3a.beta.,6a.beta.)-(.+-.)-
CAS Registry Number 108613-57-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H16O
InChI InChI=1S/C10H16O/c1-7-6-9(11)10(2)5-3-4-8(7)10/h7-8H,3-6H2,1-2H3/t7-,8-,10-/m0/s1
InChIKey IOFNUUZJLWZVGK-NRPADANISA-N
Molecular Weight 152.237 g/mol
SMILES [C@@]12(C(C[C@@]([C@@]2(CCC1)[H])(C)[H])=O)C
SPLASH splash10-0i0r-9500000000-3c6709bccc40deb4d85d
Source of Spectrum H-69-665-6
Synonyms (1RS,4SR,5RS)-1,4-dimethylbicyclo[3.3.0]octan-2-one (3S,3aS,6aS)-3,6a-dimethylhexahydro-1(2H)-pentalenone
Wiley ID 1149864