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.beta.-Vetivone
SpectraBase Compound ID FJSgcseHhDR
InChI InChI=1S/C15H22O/c1-10(2)13-5-6-15(9-13)11(3)7-14(16)8-12(15)4/h7,12H,5-6,8-9H2,1-4H3/t12-,15+/m0/s1
InChIKey ISLOGSAEQNKPGG-SWLSCSKDSA-N
Mol Weight 218.34 g/mol
Molecular Formula C15H22O
Exact Mass 218.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID kIotLOenhQ
Name .beta.-Vetivone
CAS Registry Number 18444-79-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22O
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 ??m film thickness)
GC Oven Program 60 ??C to 246 ??C at 3 ??C/min.
InChI InChI=1S/C15H22O/c1-10(2)13-5-6-15(9-13)11(3)7-14(16)8-12(15)4/h7,12H,5-6,8-9H2,1-4H3/t12-,15+/m0/s1
InChIKey ISLOGSAEQNKPGG-SWLSCSKDSA-N
Molecular Weight 218.340 g/mol
SMILES C[C@]1(CC(=O)C=C(C)[C@]11CCC(=C(C)C)C1)[H]
SPLASH splash10-05ox-9800000000-6b11ca92e9937060b58b
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Synonyms Vetivone<.beta.->
Wiley ID 1887904