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Ethyl 5'-(2-(phenylthio)acetamido)-[2,3'-bithiophene]-4'-carboxylate

View entire compound with spectra: 2 NMR

Ethyl 5'-(2-(phenylthio)acetamido)-[2,3'-bithiophene]-4'-carboxylate
SpectraBase Compound ID EQFVHm2DsWd
InChI InChI=1S/C19H17NO3S3/c1-2-23-19(22)17-14(15-9-6-10-24-15)11-26-18(17)20-16(21)12-25-13-7-4-3-5-8-13/h3-11H,2,12H2,1H3,(H,20,21)
InChIKey JKILXBLLWSHKLM-UHFFFAOYSA-N
Mol Weight 403.53 g/mol
Molecular Formula C19H17NO3S3
Exact Mass 403.037057 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BwLdoJOziUt
Name Ethyl 5'-(2-(phenylthio)acetamido)-[2,3'-bithiophene]-4'-carboxylate
Comments Computed using HOSE algorithm
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Exact Mass 403.037056930 u
Formula C19H17NO3S3
InChI InChI=1S/C19H17NO3S3/c1-2-23-19(22)17-14(15-9-6-10-24-15)11-26-18(17)20-16(21)12-25-13-7-4-3-5-8-13/h3-11H,2,12H2,1H3,(H,20,21)
InChIKey JKILXBLLWSHKLM-UHFFFAOYSA-N
Molecular Weight 403.529 g/mol
SMILES N(C1=C(C(=CS1)C=1SC=CC1)C(=O)OCC)C(=O)CSC1=CC=CC=C1