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5(1H)-Azulenone, 2,3,3a,4,6,7-hexahydro-3-hydroxy-3,8-dimethyl-, trans-(.+-.)-
SpectraBase Compound ID 5GQZZ5ew6Fd
InChI InChI=1S/C12H18O2/c1-8-3-4-9(13)7-11-10(8)5-6-12(11,2)14/h11,14H,3-7H2,1-2H3/t11-,12-/m1/s1
InChIKey AQUYZKXCIXHEPD-VXGBXAGGSA-N
Mol Weight 194.27 g/mol
Molecular Formula C12H18O2
Exact Mass 194.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID i8Pjg0e3mv
Name 5(1H)-Azulenone, 2,3,3a,4,6,7-hexahydro-3-hydroxy-3,8-dimethyl-, trans-(.+-.)-
CAS Registry Number 123995-00-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O2
InChI InChI=1S/C12H18O2/c1-8-3-4-9(13)7-11-10(8)5-6-12(11,2)14/h11,14H,3-7H2,1-2H3/t11-,12-/m1/s1
InChIKey AQUYZKXCIXHEPD-VXGBXAGGSA-N
Molecular Weight 194.274 g/mol
SMILES O[C@]1([C@]2(C(=C(CCC(C2)=O)C)CC1)[H])C
SPLASH splash10-002f-6900000000-601148da931ec83ab26f
Source of Spectrum J-55-946-22
Synonyms (3R,3aR)-3-hydroxy-3,8-dimethyl-2,3,3a,4,6,7-hexahydro-5(1H)-azulenone trans-2,3,3a,4,6,7-hexahydro-3-hydroxy-3,8-dimethyl-5-(1H)-azulenone
Wiley ID 1191155