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(E)-3-Methyl-5-thiophen-2-yl-pent-2-enoic acid ethyl ester
SpectraBase Compound ID 3Y7JcVq2ZpY
InChI InChI=1S/C12H16O2S/c1-3-14-12(13)9-10(2)6-7-11-5-4-8-15-11/h4-5,8-9H,3,6-7H2,1-2H3/b10-9+
InChIKey RAAGMQYOGCGWJK-MDZDMXLPSA-N
Mol Weight 224.32 g/mol
Molecular Formula C12H16O2S
Exact Mass 224.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 10RbsYGBah0
Name (E)-3-Methyl-5-thiophen-2-yl-pent-2-enoic acid ethyl ester
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 224.087100927 u
Formula C12H16O2S
InChI InChI=1S/C12H16O2S/c1-3-14-12(13)9-10(2)6-7-11-5-4-8-15-11/h4-5,8-9H,3,6-7H2,1-2H3/b10-9+
InChIKey RAAGMQYOGCGWJK-MDZDMXLPSA-N
Instrument Name Thermo DSQ II
Ionization Type EI
Literature Reference DOI 10.1002/jsfa.3696
Molecular Weight 224.318 g/mol
Number of Peaks 10
SMILES C(\C=C\(CCc1cccs1)C)(=O)OCC
SPLASH splash10-0002-9200000000-4974d846f86e331ce23d
Source of Spectrum SFA-89-2093-(E)-19 (DOI: 10.1002/jsfa.3696)
Wiley ID 1840264