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2-[(4-nitrobenzyl)sulfanyl]nicotinic acid

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2-[(4-nitrobenzyl)sulfanyl]nicotinic acid
SpectraBase Compound ID 1uhJ0Z80hvd
InChI InChI=1S/C13H10N2O4S/c16-13(17)11-2-1-7-14-12(11)20-8-9-3-5-10(6-4-9)15(18)19/h1-7H,8H2,(H,16,17)
InChIKey LFALEDFUNKOOBJ-UHFFFAOYSA-N
Mol Weight 290.29 g/mol
Molecular Formula C13H10N2O4S
Exact Mass 290.036128 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2FWH7loCfmP
Name 2-[(4-nitrobenzyl)sulfanyl]nicotinic 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/C13H10N2O4S/c16-13(17)11-2-1-7-14-12(11)20-8-9-3-5-10(6-4-9)15(18)19/h1-7H,8H2,(H,16,17)
InChIKey LFALEDFUNKOOBJ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_2413
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: 111517; Labnumber: EX00111865; VK_ID: VK-002414
Temperature 318 °C