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YYJWBYNQJLBIGS-SNAWJCMRSA-N
SpectraBase Compound ID 5OuykQAG7Am
InChI InChI=1S/C6H10O2/c1-4-5(2)6(7)8-3/h4H,1-3H3/b5-4+
InChIKey YYJWBYNQJLBIGS-SNAWJCMRSA-N
Mol Weight 114.14 g/mol
Molecular Formula C6H10O2
Exact Mass 114.06808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Iq4bhCM9cLI
Name Tiglate
CAS Registry Number 6622-76-0
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 114.068079560 u
Formula C6H10O2
InChI InChI=1S/C6H10O2/c1-4-5(2)6(7)8-3/h4H,1-3H3/b5-4+
InChIKey YYJWBYNQJLBIGS-SNAWJCMRSA-N
Molecular Weight 114.144 g/mol
Number of Peaks 50
RI1 862
RI2 524
SMILES C(\C(C)=C\C)(=O)OC
SPLASH splash10-0a59-9100000000-6c35010c1eb5f672020a
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-, methyl ester, (2E)-
Wiley ID LM_FFNSC3_800