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(5Z)-Octenyl tiglate
SpectraBase Compound ID CsKVR9FW2Fr
InChI InChI=1S/C13H22O2/c1-4-6-7-8-9-10-11-15-13(14)12(3)5-2/h5-7H,4,8-11H2,1-3H3/b7-6-,12-5+
InChIKey AOPXMWQNIRDCFT-BZNMCICSSA-N
Mol Weight 210.32 g/mol
Molecular Formula C13H22O2
Exact Mass 210.16198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BXcJMkUmrQk
Name Octenyl tiglate, (5Z)-
CAS Registry Number 1231959-79-7
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 210.161979946 u
Formula C13H22O2
InChI InChI=1S/C13H22O2/c1-4-6-7-8-9-10-11-15-13(14)12(3)5-2/h5-7H,4,8-11H2,1-3H3/b7-6-,12-5+
InChIKey AOPXMWQNIRDCFT-BZNMCICSSA-N
Molecular Weight 210.317 g/mol
Number of Peaks 50
RI1 1525
RI2 1202
RI3 1280
RI4 1239
RI5 1507
SMILES C\C(C(=O)OCCCC\C=C/CC)=C/C
SPLASH splash10-00lr-9000000000-6fb01829255741c3db59
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 2-Butenoic acid, 2-methyl-, (5Z)-5-octen-1-yl ester, (2E)-
Wiley ID LM_FFNSC3_3400