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1,2,3,4,5,6-Hexahydro-1,1-dimethyl-7h-benzocyclohepten-7-one
SpectraBase Compound ID 49vbZN05JnD
InChI InChI=1S/C13H18O/c1-13(2)9-3-4-10-5-6-11(14)7-8-12(10)13/h7-8H,3-6,9H2,1-2H3
InChIKey IDUZNSPKYZHNMD-UHFFFAOYSA-N
Mol Weight 190.29 g/mol
Molecular Formula C13H18O
Exact Mass 190.135765 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EaeMD3IheP
Name 1,2,3,4,5,6-Hexahydro-1,1-dimethyl-7h-benzocyclohepten-7-one
CAS Registry Number 71887-02-0
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O
InChI InChI=1S/C13H18O/c1-13(2)9-3-4-10-5-6-11(14)7-8-12(10)13/h7-8H,3-6,9H2,1-2H3
InChIKey IDUZNSPKYZHNMD-UHFFFAOYSA-N
Molecular Weight 190.286 g/mol
SMILES C1=2C=CC(=O)CCC2CCCC1(C)C
SPLASH splash10-002f-9400000000-334dcb1c8c035b2e7f9a
Source of Spectrum J-45-231-0
Synonyms 1,1-Dimethyl-1,2,3,4,5,6-hexahydro-7H-benzo[a]cyclohepten-7-one 4,4-Dimethyl-2,3,8,9-tetrahydro-1H-benzo[7]annulen-7-one
Wiley ID 1186970