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2,3-Pentadienedioic acid, methyl 1-methyl-3-(2-thienyl)-2-propenyl ester
SpectraBase Compound ID B6QXuJVnY1o
InChI InChI=1S/C14H14O4S/c1-11(8-9-12-5-4-10-19-12)18-14(16)7-3-6-13(15)17-2/h4-11H,1-2H3/b9-8+
InChIKey QXTBYMJLSUIOBI-CMDGGOBGSA-N
Mol Weight 278.32 g/mol
Molecular Formula C14H14O4S
Exact Mass 278.06128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IIY5qflVGRY
Name 2,3-Pentadienedioic acid, methyl 1-methyl-3-(2-thienyl)-2-propenyl ester
CAS Registry Number 97602-99-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14O4S
InChI InChI=1S/C14H14O4S/c1-11(8-9-12-5-4-10-19-12)18-14(16)7-3-6-13(15)17-2/h4-11H,1-2H3/b9-8+
InChIKey QXTBYMJLSUIOBI-CMDGGOBGSA-N
Molecular Weight 278.322 g/mol
SMILES C(=C=CC(=O)OC)C(OC(\C=C\c1sccc1)C)=O
SPLASH splash10-000b-8940000000-33623c8553bdfca38d2a
Source of Spectrum KC-1985-754-16
Synonyms 1-Methyl 5-[(2E)-1-methyl-3-(2-thienyl)-2-propenyl]2,3-pentadienedioate 4-(2-Thienyl)but-3-en-2-yl 4-methoxycarbonylbuta-2,3-dienoate
Wiley ID 1281727