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(3aR,8aS)-8a-Methyl-3,3a,4,5,8,8a-hexahydro-2H-azulen-1-one
SpectraBase Compound ID 79VVwOspBae
InChI InChI=1S/C11H16O/c1-11-8-4-2-3-5-9(11)6-7-10(11)12/h2,4,9H,3,5-8H2,1H3/t9-,11+/m0/s1
InChIKey WVFOBFKTTHAGIP-GXSJLCMTSA-N
Mol Weight 164.25 g/mol
Molecular Formula C11H16O
Exact Mass 164.120115 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8gpeW0ZykOS
Name (3aR,8aS)-8a-Methyl-3,3a,4,5,8,8a-hexahydro-2H-azulen-1-one
Alternate Name(s) (3aS,8aR)-8a-methyl-3,3a,4,5,8,8a-hexahydro-1(2H)-azulenone 1,2,3,3a,4,5,8,8a-Octahydroazulen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O
InChI InChI=1S/C11H16O/c1-11-8-4-2-3-5-9(11)6-7-10(11)12/h2,4,9H,3,5-8H2,1H3/t9-,11+/m0/s1
InChIKey WVFOBFKTTHAGIP-GXSJLCMTSA-N
Molecular Weight 164.248 g/mol
SMILES [C@]12(C(CC[C@@]2(CCC=CC1)[H])=O)C
SPLASH splash10-0btd-5900000000-1f451a12704336150d2c
Source of Spectrum AT-34-3732-7
Wiley ID 852526