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Methyl 2-[(2-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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Methyl 2-[(2-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
SpectraBase Compound ID 2IG5jiOwM3A
InChI InChI=1S/C17H16N2O5S/c1-24-17(21)14-11-7-3-5-9-13(11)25-16(14)18-15(20)10-6-2-4-8-12(10)19(22)23/h2,4,6,8H,3,5,7,9H2,1H3,(H,18,20)
InChIKey COTHJVVAZMHQTJ-UHFFFAOYSA-N
Mol Weight 360.38 g/mol
Molecular Formula C17H16N2O5S
Exact Mass 360.077993 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5SjL4ivOZqP
Name benzo[b]thiophene-3-carboxylic acid, 4,5,6,7-tetrahydro-2-[(2-nitrobenzoyl)amino]-, methyl 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 360.077992792 u
Formula C17H16N2O5S
InChI InChI=1S/C17H16N2O5S/c1-24-17(21)14-11-7-3-5-9-13(11)25-16(14)18-15(20)10-6-2-4-8-12(10)19(22)23/h2,4,6,8H,3,5,7,9H2,1H3,(H,18,20)
InChIKey COTHJVVAZMHQTJ-UHFFFAOYSA-N
Molecular Weight 360.384 g/mol
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_3198
Solvent DMSO-d6
Source Vendor ID: NMR/9258226; Lab Info: *0781757*; Lab Number: BAS 0781757
Temperature 29.85 °C