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(9S,9aR)-5,5,9-trimethyl-2,6,7,8,9,9a-hexahydro-1H-benzocyclohepten-3-one
SpectraBase Compound ID AJEYxrh0jFP
InChI InChI=1S/C14H22O/c1-10-5-4-8-14(2,3)13-9-11(15)6-7-12(10)13/h9-10,12H,4-8H2,1-3H3/t10-,12+/m0/s1
InChIKey KQRZRDVTZGDBSF-CMPLNLGQSA-N
Mol Weight 206.33 g/mol
Molecular Formula C14H22O
Exact Mass 206.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6o90azRhLqC
Name (9S,9aR)-5,5,9-trimethyl-2,6,7,8,9,9a-hexahydro-1H-benzocyclohepten-3-one
Alternate Name(s) (9S,9aR)-5,5,9-trimethyl-2,6,7,8,9,9a-hexahydro-1H-benzo[7]annulen-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O
InChI InChI=1S/C14H22O/c1-10-5-4-8-14(2,3)13-9-11(15)6-7-12(10)13/h9-10,12H,4-8H2,1-3H3/t10-,12+/m0/s1
InChIKey KQRZRDVTZGDBSF-CMPLNLGQSA-N
Molecular Weight 206.329 g/mol
SMILES [C@@]12([C@](CCCC(C2=CC(CC1)=O)(C)C)(C)[H])[H]
SPLASH splash10-0kbo-5910000000-4809379470993db3dba3
Source of Spectrum K1-2004-1951-1
Wiley ID 1560792