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Thiophene-3-carboxylic acid, 2-(2-bromobenzoylamino)-4,5-dimethyl-, ethyl ester

View entire compound with spectra: 2 NMR, and 1 MS (GC)

Thiophene-3-carboxylic acid, 2-(2-bromobenzoylamino)-4,5-dimethyl-, ethyl ester
SpectraBase Compound ID 67rKFeuyP9m
InChI InChI=1S/C16H16BrNO3S/c1-4-21-16(20)13-9(2)10(3)22-15(13)18-14(19)11-7-5-6-8-12(11)17/h5-8H,4H2,1-3H3,(H,18,19)
InChIKey KOHUBAPPFGLMLS-UHFFFAOYSA-N
Mol Weight 382.27 g/mol
Molecular Formula C16H16BrNO3S
Exact Mass 381.003428 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9ennbb2x5aY
Name Thiophene-3-carboxylic acid, 2-(2-bromobenzoylamino)-4,5-dimethyl-, ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 381.003427550 u
Formula C16H16BrNO3S
InChI InChI=1S/C16H16BrNO3S/c1-4-21-16(20)13-9(2)10(3)22-15(13)18-14(19)11-7-5-6-8-12(11)17/h5-8H,4H2,1-3H3,(H,18,19)
InChIKey KOHUBAPPFGLMLS-UHFFFAOYSA-N
Molecular Weight 382.272 g/mol
SMILES C1(=C(C(C)=C(S1)C)C(=O)OCC)NC(C1=CC=CC=C1Br)=O