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Bacdanol
SpectraBase Compound ID 1yQ1TvC6TZw
InChI InChI=1S/C14H24O/c1-5-12(10-15)7-9-13-8-6-11(2)14(13,3)4/h6-7,13,15H,5,8-10H2,1-4H3/b12-7-
InChIKey KHQDWCKZXLWDNM-GHXNOFRVSA-N
Mol Weight 208.34 g/mol
Molecular Formula C14H24O
Exact Mass 208.182715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IjL3ZoIYSjQ
Name Bacdanol
CAS Registry Number 28219-61-6
Copyright Database Compilation Copyright © 2023-2025 John Wiley and Sons, Inc. Copyright © 2023-2025 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 208.182715392 u
Formula C14H24O
InChI InChI=1S/C14H24O/c1-5-12(10-15)7-9-13-8-6-11(2)14(13,3)4/h6-7,13,15H,5,8-10H2,1-4H3/b12-7-
InChIKey KHQDWCKZXLWDNM-GHXNOFRVSA-N
Molecular Weight 208.345 g/mol
Number of Peaks 50
RI1 1553
RI2 1230
SMILES OC\C(=C/CC1CC=C(C1(C)C)C)CC
SPLASH splash10-0a4l-9700000000-94d4e23b3389a82a980c
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 2-Buten-1-ol, 2-ethyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-
Wiley ID LM_FFNSC3_1242