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OCIMEN
SpectraBase Compound ID LBm8XQkK2hF
InChI InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3/b10-8+
InChIKey IHPKGUQCSIINRJ-CSKARUKUSA-N
Mol Weight 136.24 g/mol
Molecular Formula C10H16
Exact Mass 136.125201 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FtcWqSEckpo
Name Ocimene <(E)-, beta->
Source of Sample SAFC Cat.no. W262501
CAS Registry Number 3779-61-1
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 136.125200515 u
Formula C10H16
InChI InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3/b10-8+
InChIKey IHPKGUQCSIINRJ-CSKARUKUSA-N
Molecular Weight 136.238 g/mol
Number of Peaks 37
RI1 1046
RI2 718
SMILES C=C\C(=C\CC=C(C)C)C
SPLASH splash10-0006-9100000000-21ecb9886e21d570abba
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 1,3,6-Octatriene, 3,7-dimethyl-, (3E)-
Wiley ID LM_FFNSC3_1125