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1,1-Dimethyl-1,2,3,5,7,8,9,9a-octahydro-benzocyclohepten-6-one
SpectraBase Compound ID AsETod2KDEl
InChI InChI=1S/C13H20O/c1-13(2)8-4-5-10-9-11(14)6-3-7-12(10)13/h5,12H,3-4,6-9H2,1-2H3
InChIKey PNSFAYQIOVYSCD-UHFFFAOYSA-N
Mol Weight 192.3 g/mol
Molecular Formula C13H20O
Exact Mass 192.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5G4GNu8mQHE
Name 1,1-Dimethyl-1,2,3,5,7,8,9,9a-octahydro-benzocyclohepten-6-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O
InChI InChI=1S/C13H20O/c1-13(2)8-4-5-10-9-11(14)6-3-7-12(10)13/h5,12H,3-4,6-9H2,1-2H3
InChIKey PNSFAYQIOVYSCD-UHFFFAOYSA-N
Molecular Weight 192.302 g/mol
SMILES C1=2C(C(C)(C)CCC2)CCCC(C1)=O
SPLASH splash10-0a4l-8900000000-60651764969fd81616c2
Synonyms 1,1-Dimethyl-1,2,3,5,7,8,9,9a-octahydro-6H-benzo[a]cyclohepten-6-one 1,1-Dimethyl-3,5,7,8,9,9a-hexahydro-2H-benzo[7]annulen-6-one 1,1-Dimethyl-3,5,7,8,9,9a-hexahydro-2H-benzocyclohepten-6-one
Wiley ID 1485672