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5-Acetyl-2-(3-bromo-benzoylamino)-4-methyl-thiophene-3-carboxylic acid ethyl ester

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

5-Acetyl-2-(3-bromo-benzoylamino)-4-methyl-thiophene-3-carboxylic acid ethyl ester
SpectraBase Compound ID 8ahXb8rUb68
InChI InChI=1S/C17H16BrNO4S/c1-4-23-17(22)13-9(2)14(10(3)20)24-16(13)19-15(21)11-6-5-7-12(18)8-11/h5-8H,4H2,1-3H3,(H,19,21)
InChIKey LVRGSAWBNSGXKN-UHFFFAOYSA-N
Mol Weight 410.28 g/mol
Molecular Formula C17H16BrNO4S
Exact Mass 408.998342 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FmIO0V6JQR7
Name 3-thiophenecarboxylic acid, 5-acetyl-2-[(3-bromobenzoyl)amino]-4-methyl-, ethyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 408.998342169 u
Formula C17H16BrNO4S
InChI InChI=1S/C17H16BrNO4S/c1-4-23-17(22)13-9(2)14(10(3)20)24-16(13)19-15(21)11-6-5-7-12(18)8-11/h5-8H,4H2,1-3H3,(H,19,21)
InChIKey LVRGSAWBNSGXKN-UHFFFAOYSA-N
Molecular Weight 410.282 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_16254
Solvent DMSO-d6
Source Vendor ID: ZI/10023506; Lab Info: PNA; Lab Number: PNA-1991116