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ethyl (E)-3-methyl-5-(3-methyl-2-thienyl)pent-2-enoate
SpectraBase Compound ID GMXqo2Gz5kw
InChI InChI=1S/C13H18O2S/c1-4-15-13(14)9-10(2)5-6-12-11(3)7-8-16-12/h7-9H,4-6H2,1-3H3/b10-9+
InChIKey SVVLCFCBOZAKRO-MDZDMXLPSA-N
Mol Weight 238.34 g/mol
Molecular Formula C13H18O2S
Exact Mass 238.102751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 46mjM8S1rhU
Name ethyl (E)-3-methyl-5-(3-methyl-2-thienyl)pent-2-enoate
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 238.102750992 u
Formula C13H18O2S
InChI InChI=1S/C13H18O2S/c1-4-15-13(14)9-10(2)5-6-12-11(3)7-8-16-12/h7-9H,4-6H2,1-3H3/b10-9+
InChIKey SVVLCFCBOZAKRO-MDZDMXLPSA-N
Instrument Name Thermo DSQ II
Ionization Type EI
Literature Reference DOI 10.1002/jsfa.3696
Molecular Weight 238.345 g/mol
Number of Peaks 10
SMILES C(\C=C\(CCc1c(ccs1)C)C)(OCC)=O
SPLASH splash10-03di-0900000000-cb5c5e67daff7ef186c6
Source of Spectrum SFA-89-2092-8E (DOI: 10.1002/jsfa.3696)
Wiley ID 1840269