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2H-Benzocyclohepten-2-one, 1,4a,5,6,7,8,9,9a-octahydro-4a-methyl-, trans-
SpectraBase Compound ID 7gPZTC8fWXk
InChI InChI=1S/C12H18O/c1-12-7-4-2-3-5-10(12)9-11(13)6-8-12/h6,8,10H,2-5,7,9H2,1H3
InChIKey XNBNTNLDJQYZNX-UHFFFAOYSA-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 6DEi3YbSrHu
Name 2H-Benzocyclohepten-2-one, 1,4a,5,6,7,8,9,9a-octahydro-4a-methyl-, trans-
Alternate Name(s) 4a-Methyl-1,4a,5,6,7,8,9,9a-octahydro-2H-benzo[a]cyclohepten-2-one 4a-methyl-5,6,7,8,9,9a-hexahydro-1H-benzocyclohepten-2-one 4a-methyl-5,6,7,8,9,9a-hexahydro-1H-benzo[7]annulen-2-one
CAS Registry Number 17429-26-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O
InChI InChI=1S/C12H18O/c1-12-7-4-2-3-5-10(12)9-11(13)6-8-12/h6,8,10H,2-5,7,9H2,1H3
InChIKey XNBNTNLDJQYZNX-UHFFFAOYSA-N
Molecular Weight 178.275 g/mol
SMILES C12(C(CC(C=C2)=O)CCCCC1)C
SPLASH splash10-00kp-9300000000-90761451f6a3d53bd357
Source of Spectrum SD-1981-0-0
Wiley ID 1174633