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(4aS,5S,8aR)-3,4,4a,5,6,7,8,8a-octahydro-5,8a-dimethylnaphthalene-2(1H)-one
SpectraBase Compound ID JoUpJpSJVRM
InChI InChI=1S/C12H20O/c1-9-4-3-7-12(2)8-10(13)5-6-11(9)12/h9,11H,3-8H2,1-2H3/t9-,11-,12+/m0/s1
InChIKey QRCKFXBETOGBCG-ZMLRMANQSA-N
Mol Weight 180.29 g/mol
Molecular Formula C12H20O
Exact Mass 180.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2er0CzH3vCB
Name (4aS,5S,8aR)-3,4,4a,5,6,7,8,8a-octahydro-5,8a-dimethylnaphthalene-2(1H)-one
CAS Registry Number 126641-70-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O
InChI InChI=1S/C12H20O/c1-9-4-3-7-12(2)8-10(13)5-6-11(9)12/h9,11H,3-8H2,1-2H3/t9-,11-,12+/m0/s1
InChIKey QRCKFXBETOGBCG-ZMLRMANQSA-N
Molecular Weight 180.291 g/mol
SMILES [C@]12([C@@](CCC(C2)=O)([C@@](C)(CCC1)[H])[H])C
SPLASH splash10-0a5a-9600000000-50faeab1de898c851935
Source of Spectrum H-72-1397-0
Synonyms (4aS,5S,8aR)-5,8a-dimethyloctahydro-2(1H)-naphthalenone
Wiley ID 1176888