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(3-BETA,3A-BETA,6-ALPHA,8-BETA,8A-ALPHA)-6-HYDROXY-3,8-DIMETHYL-2,3,3A,5,6,7,8,8A-OCTAHYDROAZULEN-4(1H)-ONE

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(3-BETA,3A-BETA,6-ALPHA,8-BETA,8A-ALPHA)-6-HYDROXY-3,8-DIMETHYL-2,3,3A,5,6,7,8,8A-OCTAHYDROAZULEN-4(1H)-ONE
SpectraBase Compound ID ZzP5HPKQHP
InChI InChI=1S/C12H20O2/c1-7-3-4-10-8(2)5-9(13)6-11(14)12(7)10/h7-10,12-13H,3-6H2,1-2H3/t7-,8-,9-,10-,12+/m0/s1
InChIKey JJPKVTMOYFIPQK-VGBILLHSSA-N
Mol Weight 196.29 g/mol
Molecular Formula C12H20O2
Exact Mass 196.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 15XUTjzU223
Name (3S,3aR,6S,8S,8aS)-3,8-dimethyl-6-oxidanyl-2,3,3a,5,6,7,8,8a-octahydro-1H-azulen-4-one
Alternate Name(s) (3S,3aR,6S,8S,8aS)-6-hydroxy-3,8-dimethyl-2,3,3a,5,6,7,8,8a-octahydro-1H-azulen-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H20O2
InChI InChI=1S/C12H20O2/c1-7-3-4-10-8(2)5-9(13)6-11(14)12(7)10/h7-10,12-13H,3-6H2,1-2H3/t7-,8-,9-,10-,12+/m0/s1
InChIKey JJPKVTMOYFIPQK-VGBILLHSSA-N
Molecular Weight 196.290 g/mol
SMILES O[C@]1(C[C@@]([C@]2([C@](C(C1)=O)([C@](CC2)(C)[H])[H])[H])(C)[H])[H]
SPLASH splash10-001i-9600000000-b1929222b93f8e57f578
Source of Spectrum K1-0-2169-19
Wiley ID 1588809