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15-HYDROXY-BETA-CARYOPHYLLENE
SpectraBase Compound ID A7TckjTeiEs
InChI InChI=1S/C15H24O/c1-11-5-4-6-12(10-16)7-8-14-13(11)9-15(14,2)3/h6,13-14,16H,1,4-5,7-10H2,2-3H3/b12-6-/t13-,14-/m1/s1
InChIKey MGIQTXDHQJGPEZ-NGPFNDBQSA-N
Mol Weight 220.36 g/mol
Molecular Formula C15H24O
Exact Mass 220.182715 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 49oegBxPWHE
Name Caryophyllene <14-hydroxy-(Z)->
CAS Registry Number 78683-81-5
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 220.182715392 u
Formula C15H24O
InChI InChI=1S/C15H24O/c1-11-5-4-6-12(10-16)7-8-14-13(11)9-15(14,2)3/h6,13-14,16H,1,4-5,7-10H2,2-3H3/b12-6-/t13-,14-/m1/s1
InChIKey MGIQTXDHQJGPEZ-NGPFNDBQSA-N
Molecular Weight 220.356 g/mol
Number of Peaks 50
RI1 1664
SMILES OC\C=1CC[C@]2(C(C[C@@]2(C(CCC\1)=C)[H])(C)C)[H]
SPLASH splash10-0006-9400000000-d300600856d427d26a28
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(7,2,0)undec-4-ene-4-methanol, 11,11-dimethyl-8-methylene-,(1R,4Z,9S)-
Wiley ID LM_FFNSC3_2567