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epi-.beta.-Bisabolol
SpectraBase Compound ID DlvLWJfbOjd
InChI InChI=1S/C15H26O/c1-12(2)6-5-7-14(4)15(16)10-8-13(3)9-11-15/h6,8,14,16H,5,7,9-11H2,1-4H3/t14-,15-/m1/s1
InChIKey WTVHAMTYZJGJLJ-HUUCEWRRSA-N
Mol Weight 222.37 g/mol
Molecular Formula C15H26O
Exact Mass 222.198365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HxqjbKOd6Bp
Name epi-.beta.-Bisabolol
CAS Registry Number 235421-59-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H26O
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/C15H26O/c1-12(2)6-5-7-14(4)15(16)10-8-13(3)9-11-15/h6,8,14,16H,5,7,9-11H2,1-4H3/t14-,15-/m1/s1
InChIKey WTVHAMTYZJGJLJ-HUUCEWRRSA-N
Molecular Weight 222.372 g/mol
SMILES O[C@]1(CCC(=CC1)C)[C@](CCC=C(C)C)([H])C
SPLASH splash10-00kf-9200000000-4e1e99f729741a1a3ea5
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Synonyms Bisabolol
Wiley ID 1885949