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(E)-2-(cyclohepta-1,3,5-triene-1-carbonyl)-3-(2-thienyl)acrylic acid ethyl ester
SpectraBase Compound ID EigHihvHOUW
InChI InChI=1S/C17H16O3S/c1-2-20-17(19)15(12-14-10-7-11-21-14)16(18)13-8-5-3-4-6-9-13/h3-8,10-12H,2,9H2,1H3/b15-12+
InChIKey VSJCINUWYVRRGS-NTCAYCPXSA-N
Mol Weight 300.37 g/mol
Molecular Formula C17H16O3S
Exact Mass 300.082016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KgrYXEAabpA
Name (E)-2-(cyclohepta-1,3,5-triene-1-carbonyl)-3-(2-thienyl)acrylic acid ethyl ester
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Formula C17H16O3S
InChI InChI=1S/C17H16O3S/c1-2-20-17(19)15(12-14-10-7-11-21-14)16(18)13-8-5-3-4-6-9-13/h3-8,10-12H,2,9H2,1H3/b15-12+
InChIKey VSJCINUWYVRRGS-NTCAYCPXSA-N
Molecular Weight 300.372 g/mol
SMILES C(\C(=C/c1sccc1)C(=O)OCC)(C1=CC=CC=CC1)=O
SPLASH splash10-0gb9-3941000000-0efd986a9ecf15944a16
Source of Spectrum SO-0-1350-7
Synonyms (E)-2-[1-cyclohepta-1,3,5-trienyl(oxo)methyl]-3-thiophen-2-yl-2-propenoic acid ethyl ester Ethyl (E)-2-(cyclohepta-1,3,5-triene-1-carbonyl)-3-(2-thienyl)prop-2-enoate Ethyl (E)-2-(cyclohepta-1,3,5-triene-1-carbonyl)-3-thiophen-2-ylprop-2-enoate Ethyl (E)-2-cyclohepta-1,3,5-trien-1-ylcarbonyl-3-thiophen-2-yl-prop-2-enoate
Wiley ID 876989