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3H-3a,6-Methanoazulen-9-one, 4,5,6,7,8,8a-hexahydro-2-(hydroxymethyl)-5,5-dimethyl-, (3a.alpha.,6.alpha.,8a.alpha.)-(.+-.)-

View entire compound with spectra: 2 MS (GC)

3H-3a,6-Methanoazulen-9-one, 4,5,6,7,8,8a-hexahydro-2-(hydroxymethyl)-5,5-dimethyl-, (3a.alpha.,6.alpha.,8a.alpha.)-(.+-.)-
SpectraBase Compound ID E7s4zGAbfd7
InChI InChI=1S/C14H20O2/c1-13(2)8-14-6-9(7-15)5-10(14)3-4-11(13)12(14)16/h5,10-11,15H,3-4,6-8H2,1-2H3/t10-,11+,14+/m0/s1
InChIKey AOCSEPHAVSOTIK-COPLHBTASA-N
Mol Weight 220.31 g/mol
Molecular Formula C14H20O2
Exact Mass 220.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7eduPpl9yPW
Name 3H-3a,6-Methanoazulen-9-one, 4,5,6,7,8,8a-hexahydro-2-(hydroxymethyl)-5,5-dimethyl-, (3a.alpha.,6.alpha.,8a.alpha.)-(.+-.)-
CAS Registry Number 89116-34-7
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20O2
InChI InChI=1S/C14H20O2/c1-13(2)8-14-6-9(7-15)5-10(14)3-4-11(13)12(14)16/h5,10-11,15H,3-4,6-8H2,1-2H3/t10-,11+,14+/m0/s1
InChIKey AOCSEPHAVSOTIK-COPLHBTASA-N
Molecular Weight 220.312 g/mol
SMILES OCC=1C[C@]23C([C@]([H])(C(C3)(C)C)CC[C@]2(C1)[H])=O
SPLASH splash10-001i-9020000000-ddd9ce9ab8536e4e3134
Source of Spectrum F-39-3242-0
Synonyms (1S+,5R+,8R+)-3-Hydroxymethyl-9,9-dimethyl-11-oxotricyclo[6.2.1.0]undec-3-ene (1S+,5S+,8S+)-3-Hydroxymethyl-9,9-dimethyl-11-oxo-tricyclo[6.2.1.0]undec-3-ene (1S,5S,8R)-3-(hydroxymethyl)-9,9-dimethyltricyclo[6.2.1.0(1,5)]undec-3-en-11-one
Wiley ID 1220165