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4-EPI-ABIETOL;4-EPI-ABIETINOL
SpectraBase Compound ID GOI5R1bqB9Y
InChI InChI=1S/C20H32O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h7,12,14,17-18,21H,5-6,8-11,13H2,1-4H3/t17-,18-,19+,20+/m0/s1
InChIKey GQRUHVMVWNKUFW-VNTMZGSJSA-N
Mol Weight 288.5 g/mol
Molecular Formula C20H32O
Exact Mass 288.245316 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4e1OtOQQLch
Name Abietol <4-epi->
CAS Registry Number 24563-94-8
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 288.245315649 u
Formula C20H32O
InChI InChI=1S/C20H32O/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h7,12,14,17-18,21H,5-6,8-11,13H2,1-4H3/t17-,18-,19+,20+/m0/s1
InChIKey GQRUHVMVWNKUFW-VNTMZGSJSA-N
Molecular Weight 288.475 g/mol
Number of Peaks 50
RI1 2342
SMILES OC[C@@]1([C@]2([C@@]([C@@]3(C(C=C(CC3)C(C)C)=CC2)[H])(CCC1)C)[H])C
SPLASH splash10-000l-6940000000-575af25b5b443760fa75
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 1-Phenanthrenemethanol, 1,2,3,4,4a,4b,5,6,10,10a-decahydro-1,4a-dimethyl-7-(1-methylethyl)-
Wiley ID LM_FFNSC3_2756