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.beta.-Bisabolenal
SpectraBase Compound ID 5zdxZEAqmF2
InChI InChI=1S/C15H22O/c1-12(2)5-4-6-13(3)15-9-7-14(11-16)8-10-15/h5,7,11,15H,3-4,6,8-10H2,1-2H3
InChIKey JZLKKMAUZMMUMS-UHFFFAOYSA-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 4Zbxmanmsue
Name .beta.-Bisabolenal
Alternate Name(s) Bisabolenal<.beta.->
CAS Registry Number 147029-14-9
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/c1-12(2)5-4-6-13(3)15-9-7-14(11-16)8-10-15/h5,7,11,15H,3-4,6,8-10H2,1-2H3
InChIKey JZLKKMAUZMMUMS-UHFFFAOYSA-N
Molecular Weight 218.340 g/mol
SMILES C(CC=C(C)C)C(C1CC=C(CC1)C=O)=C
SPLASH splash10-00kf-9400000000-f2acc7116cc5cea0e61c
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID 1885938