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.alpha.-Bisabolol acetate
SpectraBase Compound ID KX4u26E6DZT
InChI InChI=1S/C17H28O2/c1-13(2)7-6-12-17(5,19-15(4)18)16-10-8-14(3)9-11-16/h7-8,16H,6,9-12H2,1-5H3/t16-,17+/m1/s1
InChIKey RQYNNIWGGJJGDH-SJORKVTESA-N
Mol Weight 264.41 g/mol
Molecular Formula C17H28O2
Exact Mass 264.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KS62X5ocmxp
Name .alpha.-Bisabolol acetate
CAS Registry Number 25428-44-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H28O2
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/C17H28O2/c1-13(2)7-6-12-17(5,19-15(4)18)16-10-8-14(3)9-11-16/h7-8,16H,6,9-12H2,1-5H3/t16-,17+/m1/s1
InChIKey RQYNNIWGGJJGDH-SJORKVTESA-N
Molecular Weight 264.409 g/mol
SMILES CC(=O)O[C@@](CCC=C(C)C)([C@@]1(CC=C(CC1)C)[H])C
SPLASH splash10-00kf-9300000000-d1f484a3c760bc94d998
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Synonyms Bisabolol acetate<.alpha.->
Wiley ID 1885943