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(1S,3aR,8aR)-1-Acetyl-3a,6-dimethyloctahydroazulene

View entire compound with spectra: 2 MS (GC)

(1S,3aR,8aR)-1-Acetyl-3a,6-dimethyloctahydroazulene
SpectraBase Compound ID 58VDiNCDib2
InChI InChI=1S/C14H22O/c1-10-4-5-13-12(11(2)15)7-9-14(13,3)8-6-10/h6,12-13H,4-5,7-9H2,1-3H3/t12-,13-,14+/m1/s1
InChIKey NTTHZFWZFMNEMX-MCIONIFRSA-N
Mol Weight 206.33 g/mol
Molecular Formula C14H22O
Exact Mass 206.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1liIGEvSWu
Name (1S,3aR,8aR)-1-Acetyl-3a,6-dimethyloctahydroazulene
Alternate Name(s) 1-Acetyl-3a,6-dimethyloctahydroazulene 1-[(1S,3aR,8aR)-3a,6-dimethyl-1,2,3,3a,4,7,8,8a-octahydro-1-azulenyl]ethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22O
InChI InChI=1S/C14H22O/c1-10-4-5-13-12(11(2)15)7-9-14(13,3)8-6-10/h6,12-13H,4-5,7-9H2,1-3H3/t12-,13-,14+/m1/s1
InChIKey NTTHZFWZFMNEMX-MCIONIFRSA-N
Molecular Weight 206.329 g/mol
SMILES [C@@]12([C@](CC[C@@]2(CC=C(CC1)C)C)(C(=O)C)[H])[H]
SPLASH splash10-0aba-6910000000-dbd4ed4d58535cae40c3
Source of Spectrum F-51-12411-6
Wiley ID 794315