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Copaene
SpectraBase Compound ID 89l3Y8Q1urG
InChI InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12-,13-,14+,15+/m0/s1
InChIKey VLXDPFLIRFYIME-BTFPBAQTSA-N
Mol Weight 204.36 g/mol
Molecular Formula C15H24
Exact Mass 204.187801 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ELFyKwu8b0D
Name Copaene
CAS Registry Number 138874-68-7
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 204.187800773 u
Formula C15H24
InChI InChI=1S/C15H24/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(15)13(11)12/h5,9,11-14H,6-8H2,1-4H3/t11-,12-,13-,14+,15+/m0/s1
InChIKey VLXDPFLIRFYIME-BTFPBAQTSA-N
Molecular Weight 204.357 g/mol
Number of Peaks 50
RI1 1375
RI2 1053
SMILES [C@]12([C@@]3([C@]([C@@](CC2)(C(C)C)[H])([C@]1(C(C)=CC3)[H])[H])[H])C
SPLASH splash10-05mo-7900000000-62d515e36cc74ad8e602
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 Tricyclo[4.4.0.02,7]dec-3-ene, 1,3-dimethyl-8-(1-methylethyl)-
Wiley ID LM_FFNSC3_1009