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(3aR,6R,8aS)-7-Methyl-2,3,6,8a-tetrahydro-1H-3a,6-methano-azulen-5-one
SpectraBase Compound ID 79B4MPHpGGv
InChI InChI=1S/C12H16O/c1-8-5-9-3-2-4-12(9)6-10(8)11(13)7-12/h5,9-10H,2-4,6-7H2,1H3/t9-,10+,12+/m0/s1
InChIKey ZSOYPLSHDNCBDU-HOSYDEDBSA-N
Mol Weight 176.26 g/mol
Molecular Formula C12H16O
Exact Mass 176.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AcBLePWkNxj
Name (3aR,6R,8aS)-7-Methyl-2,3,6,8a-tetrahydro-1H-3a,6-methano-azulen-5-one
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O
InChI InChI=1S/C12H16O/c1-8-5-9-3-2-4-12(9)6-10(8)11(13)7-12/h5,9-10H,2-4,6-7H2,1H3/t9-,10+,12+/m0/s1
InChIKey ZSOYPLSHDNCBDU-HOSYDEDBSA-N
Molecular Weight 176.259 g/mol
SMILES [C@@]123C[C@@](C(C3)=O)(C(=C[C@@]1(CCC2)[H])C)[H]
SPLASH splash10-0aru-5900000000-6b658d075c174d58ec13
Source of Spectrum D1-1996-1164-12
Synonyms (1R,5S,8R)-7-methyltricyclo[6.2.1.0(1,5)]undec-6-en-9-one 1-Oxo-10-methyltricyclo[6.3.2.2.0]undec-10-ene
Wiley ID 834834