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3-thiophenecarboxylic acid, 2-[(3-methyl-4-nitrobenzoyl)amino]-4-phenyl-, ethyl ester
SpectraBase Compound ID 3bduj370HCr
InChI InChI=1S/C21H18N2O5S/c1-3-28-21(25)18-16(14-7-5-4-6-8-14)12-29-20(18)22-19(24)15-9-10-17(23(26)27)13(2)11-15/h4-12H,3H2,1-2H3,(H,22,24)
InChIKey QBUJXJCUQZHZHO-UHFFFAOYSA-N
Mol Weight 410.44 g/mol
Molecular Formula C21H18N2O5S
Exact Mass 410.093643 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EdE2R6z0U53
Name 3-thiophenecarboxylic acid, 2-[(3-methyl-4-nitrobenzoyl)amino]-4-phenyl-, 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 410.093642857 u
Formula C21H18N2O5S
InChI InChI=1S/C21H18N2O5S/c1-3-28-21(25)18-16(14-7-5-4-6-8-14)12-29-20(18)22-19(24)15-9-10-17(23(26)27)13(2)11-15/h4-12H,3H2,1-2H3,(H,22,24)
InChIKey QBUJXJCUQZHZHO-UHFFFAOYSA-N
Molecular Weight 410.444 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14012
Solvent DMSO-d6
Source Vendor ID: ZI/10027873; Lab Info: PNA; Lab Number: PNA-1991790