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Abieta-7,13-dien-3-one
SpectraBase Compound ID KLSpHC5ToYp
InChI InChI=1S/C20H30O/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(3,4)18(21)10-11-20(16,17)5/h7,12-13,16-17H,6,8-11H2,1-5H3
InChIKey BOPYLVIBVAFZAH-UHFFFAOYSA-N
Mol Weight 286.46 g/mol
Molecular Formula C20H30O
Exact Mass 286.229666 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Eelo7NyEzCn
Name Abieta-7,13-dien-3-one
CAS Registry Number 29461-25-4
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 286.229665585 u
Formula C20H30O
InChI InChI=1S/C20H30O/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(3,4)18(21)10-11-20(16,17)5/h7,12-13,16-17H,6,8-11H2,1-5H3
InChIKey BOPYLVIBVAFZAH-UHFFFAOYSA-N
Molecular Weight 286.459 g/mol
Number of Peaks 50
RI1 2314
SMILES C1(CCC2(C(C1(C)C)CC=C1C2CCC(=C1)C(C)C)C)=O
SPLASH splash10-000f-8920000000-9ada46910eae86d62100
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(1H)-Phenanthrenone, 3,4,4a,4b,5,6,10,10a-octahydro-1,1,4a-trimethyl-7-(1-methylethyl)-
Wiley ID LM_FFNSC3_2799