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Ethyl trans-2-octenoate
SpectraBase Compound ID 4yYl7OhdtmG
InChI InChI=1S/C10H18O2/c1-3-5-6-7-8-9-10(11)12-4-2/h8-9H,3-7H2,1-2H3/b9-8+
InChIKey AISZSTYLOVXFII-CMDGGOBGSA-N
Mol Weight 170.25 g/mol
Molecular Formula C10H18O2
Exact Mass 170.13068 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7yeblAg6nSp
Name Ethyl oct-(2E)-enoate
CAS Registry Number 2351-90-8
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 170.130679818 u
Formula C10H18O2
InChI InChI=1S/C10H18O2/c1-3-5-6-7-8-9-10(11)12-4-2/h8-9H,3-7H2,1-2H3/b9-8+
InChIKey AISZSTYLOVXFII-CMDGGOBGSA-N
Molecular Weight 170.252 g/mol
Number of Peaks 50
RI1 1250
SMILES CCCCC\C=C\C(OCC)=O
SPLASH splash10-0a4l-9100000000-172d29b224feb09236ee
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-Octenoic acid, ethyl ester, (2E)-
Wiley ID LM_FFNSC3_2665