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trans-2,3,3a,4,6,7-hexahydro-3-hydroxy-8-methyl-5(1H)-azulenone
SpectraBase Compound ID CGjZNIusFDL
InChI InChI=1S/C11H16O2/c1-7-2-3-8(12)6-10-9(7)4-5-11(10)13/h10-11,13H,2-6H2,1H3/t10-,11+/m1/s1
InChIKey KXLJYLAVIXSNAW-MNOVXSKESA-N
Mol Weight 180.25 g/mol
Molecular Formula C11H16O2
Exact Mass 180.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Pzq71az9Ib
Name trans-2,3,3a,4,6,7-hexahydro-3-hydroxy-8-methyl-5(1H)-azulenone
Alternate Name(s) (3S,3aR)-3-hydroxy-8-methyl-2,3,3a,4,6,7-hexahydro-5(1H)-azulenone
CAS Registry Number 123994-99-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H16O2
InChI InChI=1S/C11H16O2/c1-7-2-3-8(12)6-10-9(7)4-5-11(10)13/h10-11,13H,2-6H2,1H3/t10-,11+/m1/s1
InChIKey KXLJYLAVIXSNAW-MNOVXSKESA-N
Molecular Weight 180.247 g/mol
SMILES O[C@@]1([C@]2(C(=C(CCC(C2)=O)C)CC1)[H])[H]
SPLASH splash10-0096-8900000000-ec9127fe187c18cbe8eb
Source of Spectrum J-55-946-20
Wiley ID 1176580