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3-nitro-4-(2-pyridinylsulfanyl)benzoic acid
SpectraBase Compound ID 23MXIYjs5A0
InChI InChI=1S/C12H8N2O4S/c15-12(16)8-4-5-10(9(7-8)14(17)18)19-11-3-1-2-6-13-11/h1-7H,(H,15,16)
InChIKey VHSWWOQCRUCNDE-UHFFFAOYSA-N
Mol Weight 276.27 g/mol
Molecular Formula C12H8N2O4S
Exact Mass 276.020478 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ECbgWqZoPfV
Name 3-nitro-4-(2-pyridinylsulfanyl)benzoic acid
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C12H8N2O4S/c15-12(16)8-4-5-10(9(7-8)14(17)18)19-11-3-1-2-6-13-11/h1-7H,(H,15,16)
InChIKey VHSWWOQCRUCNDE-UHFFFAOYSA-N
NMR Offset 16.8468
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_4501
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: NMR/9215407; Labnumber: LP-0502119; IOH_ID: IOH-004502
Temperature 297 °C