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2-Butenoic acid, 2-methyl-, 2-propenyl ester, (E)-
SpectraBase Compound ID Hi5YsBgNlPY
InChI InChI=1S/C8H12O2/c1-4-6-10-8(9)7(3)5-2/h4-5H,1,6H2,2-3H3/b7-5+
InChIKey ODOZNBUSHKFCSH-FNORWQNLSA-N
Mol Weight 140.18 g/mol
Molecular Formula C8H12O2
Exact Mass 140.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9D3jjvPRzxw
Name Tiglate
Source of Sample SAFC Cat.no. W204307
CAS Registry Number 7493-71-2
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 140.083729624 u
Formula C8H12O2
InChI InChI=1S/C8H12O2/c1-4-6-10-8(9)7(3)5-2/h4-5H,1,6H2,2-3H3/b7-5+
InChIKey ODOZNBUSHKFCSH-FNORWQNLSA-N
Molecular Weight 140.182 g/mol
Number of Peaks 50
RI1 1025
RI2 696
RI3 782
RI4 733
RI5 1008
SMILES C(\C(C)=C\C)(=O)OCC=C
SPLASH splash10-0a59-9000000000-2e2bb8130d8acaa794c3
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-, 2-propenyl ester, (2E)-
Wiley ID LM_FFNSC3_117