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1-Pentalenol, 3-ethenyloctahydro-2,3,6a-trimethyl-, (1.alpha.,2.alpha.,3.beta.,3a.beta.,6a.beta.)-(.+-.)-
SpectraBase Compound ID K14QAs9ZkAu
InChI InChI=1S/C13H22O/c1-5-12(3)9(2)11(14)13(4)8-6-7-10(12)13/h5,9-11,14H,1,6-8H2,2-4H3/t9-,10-,11+,12-,13-/m0/s1
InChIKey GUVQAXPPHWKTIM-WJTVCTBASA-N
Mol Weight 194.32 g/mol
Molecular Formula C13H22O
Exact Mass 194.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3WoZurRM00B
Name 1-Pentalenol, 3-ethenyloctahydro-2,3,6a-trimethyl-, (1.alpha.,2.alpha.,3.beta.,3a.beta.,6a.beta.)-(.+-.)-
CAS Registry Number 108613-54-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O
InChI InChI=1S/C13H22O/c1-5-12(3)9(2)11(14)13(4)8-6-7-10(12)13/h5,9-11,14H,1,6-8H2,2-4H3/t9-,10-,11+,12-,13-/m0/s1
InChIKey GUVQAXPPHWKTIM-WJTVCTBASA-N
Molecular Weight 194.318 g/mol
SMILES O[C@]1([C@@]2([C@]([C@](C=C)(C)[C@]1(C)[H])(CCC2)[H])C)[H]
SPLASH splash10-067j-9300000000-dfe106ae09adaab98f97
Source of Spectrum H-69-666-10
Synonyms (1R,2R,3R,3aS,6aS)-2,3,6a-trimethyl-3-vinyloctahydro-1-pentalenol (1RS,2SR,3SR,4RS,5RS)-1,3,4-trimethyl-4-vinylbicyclo[3.3.0]octan-2-ol
Wiley ID 1191469