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epi-.alpha.-Bisabolol acetate
SpectraBase Compound ID CSHwoHLpP5u
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-/m0/s1
InChIKey RQYNNIWGGJJGDH-IRXDYDNUSA-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 J5EjOvpSTk
Name Bisabolol acetate
CAS Registry Number 256332-39-5
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 264.208930140 u
Formula C17H28O2
GC Column J&W DB-5 (30 m x 0.25 mm ID x 0.25 μm 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-/m0/s1
InChIKey RQYNNIWGGJJGDH-IRXDYDNUSA-N
Molecular Weight 264.409 g/mol
Nominal Mass 264 u
Number of Peaks 86
SMILES CC(=O)O[C@]([C@]1(CC=C(CC1)C)[H])(CCC=C(C)C)C
SPLASH splash10-00kf-9400000000-531a4e31a0f6c51bd135
Source of Spectrum Adams' Essential Oil Components (GC-MS), Version 4
Wiley ID RA000183