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2-thiophenecarboxylic acid, 3-[(3-carboxy-1-oxopropyl)amino]-5-phenyl-, methyl ester
SpectraBase Compound ID TbAd8w5pgr
InChI InChI=1S/C16H15NO5S/c1-22-16(21)15-11(17-13(18)7-8-14(19)20)9-12(23-15)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,17,18)(H,19,20)
InChIKey OWHGCYXAMAHRQL-UHFFFAOYSA-N
Mol Weight 333.36 g/mol
Molecular Formula C16H15NO5S
Exact Mass 333.067094 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID L8hzk7rodcy
Name 2-thiophenecarboxylic acid, 3-[(3-carboxy-1-oxopropyl)amino]-5-phenyl-, 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 333.067093756 u
Formula C16H15NO5S
InChI InChI=1S/C16H15NO5S/c1-22-16(21)15-11(17-13(18)7-8-14(19)20)9-12(23-15)10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3,(H,17,18)(H,19,20)
InChIKey OWHGCYXAMAHRQL-UHFFFAOYSA-N
Molecular Weight 333.358 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2021_8203
Solvent DMSO-d6
Source Vendor ID: NMR/12719528