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(4aR,8S,8aS)-cis-4a,8-Dimethyloctalone
SpectraBase Compound ID H6iB0aeNcTD
InChI InChI=1S/C12H18O/c1-9-5-3-7-12(2)8-4-6-10(13)11(9)12/h3,5,9,11H,4,6-8H2,1-2H3/t9-,11+,12-/m0/s1
InChIKey KFKXLNGPZIVILK-WCQGTBRESA-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 IivkG4ZKZp2
Name (4aR,8S,8aS)-cis-4a,8-Dimethyloctalone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O
InChI InChI=1S/C12H18O/c1-9-5-3-7-12(2)8-4-6-10(13)11(9)12/h3,5,9,11H,4,6-8H2,1-2H3/t9-,11+,12-/m0/s1
InChIKey KFKXLNGPZIVILK-WCQGTBRESA-N
Molecular Weight 178.275 g/mol
SMILES [C@@]12([C@@](CC=C[C@@]2(C)[H])(CCCC1=O)C)[H]
SPLASH splash10-0a6v-3900000000-d36749de2acb3dd75c62
Source of Spectrum AT-32-6447-3
Synonyms (4aR,8S,8aS)-4a,8-dimethyl-3,4,4a,5,8,8a-hexahydro-1(2H)-naphthalenone cis-4a,8-Dimethyloctalone
Wiley ID 836049