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Abieta-9(11),8(14),12-trien-12-ol
SpectraBase Compound ID A1LJmFUeTIu
InChI InChI=1S/C20H30O/c1-13(2)15-11-14-7-8-18-19(3,4)9-6-10-20(18,5)16(14)12-17(15)21/h11-13,18,21H,6-10H2,1-5H3
InChIKey QXNWVJOHUAQHLM-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 EZyOemFo3bT
Name Ferruginol
CAS Registry Number 514-62-5
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 286.229665585 u
Formula C20H30O
InChI InChI=1S/C20H30O/c1-13(2)15-11-14-7-8-18-19(3,4)9-6-10-20(18,5)16(14)12-17(15)21/h11-13,18,21H,6-10H2,1-5H3
InChIKey QXNWVJOHUAQHLM-UHFFFAOYSA-N
Molecular Weight 286.459 g/mol
Number of Peaks 50
RI1 2331
SMILES Oc1cc2c(cc1C(C)C)CCC1C(C)(C)CCCC21C
SPLASH splash10-000i-1960000000-d0de36c8dc9e9f239154
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 Bicyclo[3.1.1]hept-2-en-6-ol, 2,7,7-trimethyl-, 6-acetate
Wiley ID LM_FFNSC3_2360