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2(1H)-Naphthalenone, 3,4,4a,7,8,8a-hexahydro-5,8a-dimethyl-, (4aR-trans)-
SpectraBase Compound ID BNGcBsFtwae
InChI InChI=1S/C12H18O/c1-9-4-3-7-12(2)8-10(13)5-6-11(9)12/h4,11H,3,5-8H2,1-2H3/t11-,12+/m0/s1
InChIKey NBHKNHAIXORYMW-NWDGAFQWSA-N
Mol Weight 178.27 g/mol
Molecular Formula C12H18O
Exact Mass 178.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 44wTPQHOt0q
Name 2(1H)-Naphthalenone, 3,4,4a,7,8,8a-hexahydro-5,8a-dimethyl-, (4aR-trans)-
CAS Registry Number 126641-69-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O
InChI InChI=1S/C12H18O/c1-9-4-3-7-12(2)8-10(13)5-6-11(9)12/h4,11H,3,5-8H2,1-2H3/t11-,12+/m0/s1
InChIKey NBHKNHAIXORYMW-NWDGAFQWSA-N
Molecular Weight 178.275 g/mol
SMILES [C@@]12([C@](C(C)=CCC2)(CCC(C1)=O)[H])C
SPLASH splash10-06sl-9700000000-9f7def8eb4031879eda9
Source of Spectrum H-72-1397-0
Synonyms (4aR,8aR)-3,4,4a,7,8,8a-hexahydro-5,8a-dimethylnaphthalene-2(1H)-one (4aR,8aR)-5,8a-dimethyl-3,4,4a,7,8,8a-hexahydro-2(1H)-naphthalenone
Wiley ID 1174717