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Thiophene-3-carboxylic acid, 5-ethyl-2-phenylthioacetylamino-, ethyl ester

View entire compound with spectra: 3 NMR, and 1 MS (GC)

Thiophene-3-carboxylic acid, 5-ethyl-2-phenylthioacetylamino-, ethyl ester
SpectraBase Compound ID FH84GKWkd0c
InChI InChI=1S/C17H19NO3S2/c1-3-12-10-14(17(20)21-4-2)16(23-12)18-15(19)11-22-13-8-6-5-7-9-13/h5-10H,3-4,11H2,1-2H3,(H,18,19)
InChIKey WRNIMUCFXVYWCX-UHFFFAOYSA-N
Mol Weight 349.46 g/mol
Molecular Formula C17H19NO3S2
Exact Mass 349.080636 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9K2JZZwnK3M
Name Thiophene-3-carboxylic acid, 5-ethyl-2-phenylthioacetylamino-, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 349.080635821 u
Formula C17H19NO3S2
InChI InChI=1S/C17H19NO3S2/c1-3-12-10-14(17(20)21-4-2)16(23-12)18-15(19)11-22-13-8-6-5-7-9-13/h5-10H,3-4,11H2,1-2H3,(H,18,19)
InChIKey WRNIMUCFXVYWCX-UHFFFAOYSA-N
Molecular Weight 349.463 g/mol
SMILES C1(=C(C=C(S1)CC)C(=O)OCC)NC(=O)CSC1=CC=CC=C1