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(4aS)-2,4a,5,6,7,8-Hexahydro-3,5,5,9-tetramethyl-6H-benzocyclohepten-6-one
SpectraBase Compound ID Gss4zwgWoCX
InChI InChI=1S/C15H22O/c1-10-5-7-12-11(2)6-8-14(16)15(3,4)13(12)9-10/h9,13H,5-8H2,1-4H3/t13-/m0/s1
InChIKey NBQATWIYBJEGOK-ZDUSSCGKSA-N
Mol Weight 218.34 g/mol
Molecular Formula C15H22O
Exact Mass 218.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1phcgXQ4RSJ
Name (4aS)-2,4a,5,6,7,8-Hexahydro-3,5,5,9-tetramethyl-6H-benzocyclohepten-6-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O
InChI InChI=1S/C15H22O/c1-10-5-7-12-11(2)6-8-14(16)15(3,4)13(12)9-10/h9,13H,5-8H2,1-4H3/t13-/m0/s1
InChIKey NBQATWIYBJEGOK-ZDUSSCGKSA-N
Literature Reference DOI 10.1002/hlca.200690025
Molecular Weight 218.340 g/mol
SMILES CC1(C)[C@]2([H])C(=C(CCC1=O)C)CCC(=C2)C
SPLASH splash10-0006-9100000000-55cb9b2b9d84e39b78ff
Source of Spectrum H-89-238-18a
Synonyms (S)-3,5,5,9-tetramethyl-1,2,4a,5,7,8-hexahydro-6H-benzo[7]annulen-6-one
Wiley ID 1785657