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2,3-Pentadienedioic acid, methyl 1-methyl-3-(5-methyl-2-thienyl)-2-propenyl ester
SpectraBase Compound ID 98lASBkYjIg
InChI InChI=1S/C15H16O4S/c1-11(7-9-13-10-8-12(2)20-13)19-15(17)6-4-5-14(16)18-3/h5-11H,1-3H3/b9-7+
InChIKey MLQDQMUXIVYACA-VQHVLOKHSA-N
Mol Weight 292.35 g/mol
Molecular Formula C15H16O4S
Exact Mass 292.07693 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9DYUtHkJboc
Name 2,3-Pentadienedioic acid, methyl 1-methyl-3-(5-methyl-2-thienyl)-2-propenyl ester
Alternate Name(s) 1-Methyl 5-[(2E)-1-methyl-3-(5-methyl-2-thienyl)-2-propenyl]2,3-pentadienedioate 4-(5-Methyl-2-thienyl)but-3-en-2-yl 4-methoxycarbonylbuta-2,3-dienoate
CAS Registry Number 97603-00-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16O4S
InChI InChI=1S/C15H16O4S/c1-11(7-9-13-10-8-12(2)20-13)19-15(17)6-4-5-14(16)18-3/h5-11H,1-3H3/b9-7+
InChIKey MLQDQMUXIVYACA-VQHVLOKHSA-N
Molecular Weight 292.349 g/mol
SMILES c1(sc(cc1)C)\C=C\C(OC(C=C=CC(=O)OC)=O)C
SPLASH splash10-0il0-0940000000-703805ed98c0c32b2dea
Source of Spectrum KC-1985-754-16
Wiley ID 1295202