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Cedrenal <1,7-diepi-alpha->
SpectraBase Compound ID B7X2iXd8hi3
InChI InChI=1S/C15H22O/c1-10-4-5-13-14(2,3)12-8-15(10,13)7-6-11(12)9-16/h6,9-10,12-13H,4-5,7-8H2,1-3H3/t10-,12-,13+,15-/m1/s1
InChIKey OETRFUZAVAFOBR-IKVITTDRSA-N
Mol Weight 218.34 g/mol
Molecular Formula C15H22O
Exact Mass 218.167065 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A6cC8KC0p5s
Name Cedrenal <1,7-diepi-alpha->
CAS Registry Number 288249-27-4
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 218.167065327 u
Formula C15H22O
InChI InChI=1S/C15H22O/c1-10-4-5-13-14(2,3)12-8-15(10,13)7-6-11(12)9-16/h6,9-10,12-13H,4-5,7-8H2,1-3H3/t10-,12-,13+,15-/m1/s1
InChIKey OETRFUZAVAFOBR-IKVITTDRSA-N
Molecular Weight 218.340 g/mol
Number of Peaks 50
RI1 1643
SMILES CC1([C@@]2(C[C@]3([C@]1(CC[C@]3(C)[H])[H])CC=C2C=O)[H])C
SPLASH splash10-055f-9800000000-30d6102364f84e07fb7d
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 1H-3a,7-Methanoazulene-6-carboxaldehyde, 2,3,4,7,8,8a-hexahydro-3,8,8-trimethyl-
Wiley ID LM_FFNSC3_2791