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5-{[(2-pyridinylsulfanyl)acetyl]amino}isophthalic acid
SpectraBase Compound ID Eksx2lE8Poq
InChI InChI=1S/C15H12N2O5S/c18-12(8-23-13-3-1-2-4-16-13)17-11-6-9(14(19)20)5-10(7-11)15(21)22/h1-7H,8H2,(H,17,18)(H,19,20)(H,21,22)
InChIKey SCQNINCLAWKPTM-UHFFFAOYSA-N
Mol Weight 332.33 g/mol
Molecular Formula C15H12N2O5S
Exact Mass 332.046693 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7HNMdLu3c5X
Name 5-{[(2-pyridinylsulfanyl)acetyl]amino}isophthalic acid
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 332.046692663 u
Formula C15H12N2O5S
InChI InChI=1S/C15H12N2O5S/c18-12(8-23-13-3-1-2-4-16-13)17-11-6-9(14(19)20)5-10(7-11)15(21)22/h1-7H,8H2,(H,17,18)(H,19,20)(H,21,22)
InChIKey SCQNINCLAWKPTM-UHFFFAOYSA-N
Molecular Weight 332.330 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_4398
Solvent DMSO-d6
Source Vendor ID: NMR/12309275