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Bulnesyl acetate (obtained by guaiac wood oil)
SpectraBase Compound ID IlMRs61rX03
InChI InChI=1S/C17H28O2/c1-11-6-8-14(17(4,5)19-13(3)18)10-16-12(2)7-9-15(11)16/h12,14,16H,6-10H2,1-5H3/t12-,14+,16?/m0/s1
InChIKey JBVWTNIISBARDE-XNVGXSDDSA-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 4zJ60EXUWVq
Name Bulnesyl acetate (obtained by guaiac wood oil)
CAS Registry Number 94333-88-7
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
InChI InChI=1S/C17H28O2/c1-11-6-8-14(17(4,5)19-13(3)18)10-16-12(2)7-9-15(11)16/h12,14,16H,6-10H2,1-5H3/t12-,14+,16?/m0/s1
InChIKey JBVWTNIISBARDE-XNVGXSDDSA-N
Molecular Weight 264.409 g/mol
Number of Peaks 50
RI1 1722
RI2 1398
RI3 1794
RI4 1704
RI5 1709
SMILES C(C)(=O)OC(C)(C)[C@]1(CC2[C@](CCC2=C(CC1)C)(C)[H])[H]
SPLASH splash10-08fu-5900000000-d4717374c9d4deff1268
Sample Comments RI1: measured on SLB-5ms (Hydro) RI2: measured on SLB-5ms (FAMEs) RI3: measured on Supelcowax-10 (FAMEs) RI4: measured on Supelcowax-10 (FAEEs) RI5: measured on Equity-1 (Hydro)
Source of Spectrum Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy)
Synonyms 5-Azulenemethanol, 1,2,3,4,5,6,7,8-octahydro-a,a,3,8-tetramethyl-, acetate, [3S-(3a,5a,8a)]-
Wiley ID LM_FFNSC3_3310