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5-Benzoyl-2-prop-2-enyl-3-thiophenecarboxylic acid ethyl ester

View entire compound with spectra: 1 MS (GC)

5-Benzoyl-2-prop-2-enyl-3-thiophenecarboxylic acid ethyl ester
SpectraBase Compound ID Fu8VrjTyhuE
InChI InChI=1S/C17H16O3S/c1-3-8-14-13(17(19)20-4-2)11-15(21-14)16(18)12-9-6-5-7-10-12/h3,5-7,9-11H,1,4,8H2,2H3
InChIKey GGWXRLQQNRDCJA-UHFFFAOYSA-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 LsfLPLrtWyb
Name 5-Benzoyl-2-prop-2-enyl-3-thiophenecarboxylic acid ethyl ester
Alternate Name(s) Ethyl 2-allyl-5-benzoyl-thiophene-3-carboxylate Ethyl 5-(phenylcarbonyl)-2-prop-2-enyl-thiophene-3-carboxylate Ethyl 5-benzoyl-2-prop-2-enylthiophene-3-carboxylate
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Formula C17H16O3S
InChI InChI=1S/C17H16O3S/c1-3-8-14-13(17(19)20-4-2)11-15(21-14)16(18)12-9-6-5-7-10-12/h3,5-7,9-11H,1,4,8H2,2H3
InChIKey GGWXRLQQNRDCJA-UHFFFAOYSA-N
Molecular Weight 300.372 g/mol
SMILES c1(c(cc(s1)C(c1ccccc1)=O)C(=O)OCC)CC=C
SPLASH splash10-0pb9-0927000000-7ed6c85b59ba82437ddc
Source of Spectrum J-65-4632-25
Wiley ID 1532877