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3-[(4-bromoanilino)-oxomethyl]-2-[[(4-fluorophenyl)-oxomethyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester

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3-[(4-bromoanilino)-oxomethyl]-2-[[(4-fluorophenyl)-oxomethyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyridine-6-carboxylic acid ethyl ester
SpectraBase Compound ID KSeiK2LtJrB
InChI InChI=1S/C24H21BrFN3O4S/c1-2-33-24(32)29-12-11-18-19(13-29)34-23(28-21(30)14-3-7-16(26)8-4-14)20(18)22(31)27-17-9-5-15(25)6-10-17/h3-10H,2,11-13H2,1H3,(H,27,31)(H,28,30)
InChIKey PXAYPTBAERMUPD-UHFFFAOYSA-N
Mol Weight 546.41 g/mol
Molecular Formula C24H21BrFN3O4S
Exact Mass 545.042019 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KMMVRYOZTTd
Name thieno[2,3-c]pyridine-6(5H)-carboxylic acid, 3-[[(4-bromophenyl)amino]carbonyl]-2-[(4-fluorobenzoyl)amino]-4,7-dihydro-, 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 545.042018501 u
Formula C24H21BrFN3O4S
InChI InChI=1S/C24H21BrFN3O4S/c1-2-33-24(32)29-12-11-18-19(13-29)34-23(28-21(30)14-3-7-16(26)8-4-14)20(18)22(31)27-17-9-5-15(25)6-10-17/h3-10H,2,11-13H2,1H3,(H,27,31)(H,28,30)
InChIKey PXAYPTBAERMUPD-UHFFFAOYSA-N
Molecular Weight 546.411 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_12270
Solvent DMSO-d6
Source Vendor ID: NMR/10272035; Lab Info: DEC; Lab Number: DEC-S000210