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2H-Benzocyclohepten-2-one, 1,3,4,6,7,8,9,9a-octahydro-5-methyl-
SpectraBase Compound ID AEPOBC2dCuM
InChI InChI=1S/C12H18O/c1-9-2-4-10-6-7-12(13)8-11(10)5-3-9/h4,9,11H,2-3,5-8H2,1H3
InChIKey BVOFYWZQVTXBNT-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 KX5RiZq7hV3
Name 2H-Benzocyclohepten-2-one, 1,3,4,6,7,8,9,9a-octahydro-5-methyl-
CAS Registry Number 124043-68-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O
InChI InChI=1S/C12H18O/c1-9-2-4-10-6-7-12(13)8-11(10)5-3-9/h4,9,11H,2-3,5-8H2,1H3
InChIKey BVOFYWZQVTXBNT-UHFFFAOYSA-N
Molecular Weight 178.275 g/mol
SMILES C12=CCC(C)CCC2CC(CC1)=O
SPLASH splash10-004i-7900000000-cf60adb3c9eb78c625a0
Source of Spectrum J-54-6063-23
Synonyms 2,3,4,4a,5,6,7,8-octahydro-7-methyl-3-oxo-1H-benzocycloheptene 2,3,4,4a,5,6,7,8-octahydro-9-methyl-3-oxo-1H-benzocycloheptene 7-Methyl-1,3,4,6,7,8,9,9a-octahydro-2H-benzo[a]cyclohepten-2-one
Wiley ID 1174738