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Abienol
SpectraBase Compound ID GLwhjA2s3Xl
InChI InChI=1S/C20H34O/c1-7-15(2)9-10-17-19(5)13-8-12-18(3,4)16(19)11-14-20(17,6)21/h7,9,16-17,21H,1,8,10-14H2,2-6H3/b15-9+/t16?,17-,19+,20-/m1/s1
InChIKey ZAZVCYBIABTSJR-QKVGIVIGSA-N
Mol Weight 290.5 g/mol
Molecular Formula C20H34O
Exact Mass 290.260966 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 59gaEHIGFRW
Name Abienol
CAS Registry Number 1616-86-0
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 290.260965714 u
Formula C20H34O
InChI InChI=1S/C20H34O/c1-7-15(2)9-10-17-19(5)13-8-12-18(3,4)16(19)11-14-20(17,6)21/h7,9,16-17,21H,1,8,10-14H2,2-6H3/b15-9+/t16?,17-,19+,20-/m1/s1
InChIKey ZAZVCYBIABTSJR-QKVGIVIGSA-N
Molecular Weight 290.491 g/mol
Number of Peaks 50
RI1 2152
SMILES O[C@]1([C@@]([C@@]2(C(CC1)C(CCC2)(C)C)C)(C\C=C/(C)C=C)[H])C
SPLASH splash10-001l-9700000000-25659a100c46cdebb5ed
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-Naphthalenol, decahydro-2,5,5,8a-tetramethyl-1-(3-methyl-2,4-pentadien-1-yl)-
Wiley ID LM_FFNSC3_2306