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(8S,8aS)-3,8-Dimethyl-6,7,8,8a-tetrahydro-1H-azulen-2-one
SpectraBase Compound ID EpraHZp67hR
InChI InChI=1S/C12H16O/c1-8-5-3-4-6-10-9(2)12(13)7-11(8)10/h4,6,8,11H,3,5,7H2,1-2H3/t8-,11-/m0/s1
InChIKey BWQHIZINCZVPPT-KWQFWETISA-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 8CnsN5YLyjy
Name (8S,8aS)-3,8-Dimethyl-6,7,8,8a-tetrahydro-1H-azulen-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O
InChI InChI=1S/C12H16O/c1-8-5-3-4-6-10-9(2)12(13)7-11(8)10/h4,6,8,11H,3,5,7H2,1-2H3/t8-,11-/m0/s1
InChIKey BWQHIZINCZVPPT-KWQFWETISA-N
Molecular Weight 176.259 g/mol
SMILES C12=C(C(=O)C[C@]2([C@](CCC=C1)(C)[H])[H])C
SPLASH splash10-004i-1900000000-3dd794b5c0f033cda165
Source of Spectrum G4-69-1235-9
Wiley ID 1694493