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4H-cyclohepta[b]thiophene-3-carboxylic acid, 5,6,7,8-tetrahydro-2-[(3-methyl-4-nitrobenzoyl)amino]-, ethyl ester
SpectraBase Compound ID BJvE9KKu0Ke
InChI InChI=1S/C20H22N2O5S/c1-3-27-20(24)17-14-7-5-4-6-8-16(14)28-19(17)21-18(23)13-9-10-15(22(25)26)12(2)11-13/h9-11H,3-8H2,1-2H3,(H,21,23)
InChIKey ALVNBXLDTISVCJ-UHFFFAOYSA-N
Mol Weight 402.47 g/mol
Molecular Formula C20H22N2O5S
Exact Mass 402.124943 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IUYVCPTOIMA
Name 4H-cyclohepta[b]thiophene-3-carboxylic acid, 5,6,7,8-tetrahydro-2-[(3-methyl-4-nitrobenzoyl)amino]-, 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 402.124942985 u
Formula C20H22N2O5S
InChI InChI=1S/C20H22N2O5S/c1-3-27-20(24)17-14-7-5-4-6-8-16(14)28-19(17)21-18(23)13-9-10-15(22(25)26)12(2)11-13/h9-11H,3-8H2,1-2H3,(H,21,23)
InChIKey ALVNBXLDTISVCJ-UHFFFAOYSA-N
Molecular Weight 402.465 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_1492
Solvent DMSO-d6
Source Vendor ID: NMR/8267909; Lab Info: ZIU; Lab Number: ZIU/0022677