2-{[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl}nicotinic acid

SpectraBase Compound ID	7hiDpiOoWkS
InChI	InChI=1S/C14H10N2O5S/c17-12(9-3-1-4-10(7-9)16(20)21)8-22-13-11(14(18)19)5-2-6-15-13/h1-7H,8H2,(H,18,19)
InChIKey	NLLVFBUITXSIQT-UHFFFAOYSA-N Google Search
Mol Weight	318.3 g/mol
Molecular Formula	C14H10N2O5S
Exact Mass	318.031043 g/mol

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SpectraBase Spectrum ID	A52gt3aqV2k
Name	2-{[2-(3-nitrophenyl)-2-oxoethyl]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/C14H10N2O5S/c17-12(9-3-1-4-10(7-9)16(20)21)8-22-13-11(14(18)19)5-2-6-15-13/h1-7H,8H2,(H,18,19)
InChIKey	NLLVFBUITXSIQT-UHFFFAOYSA-N
NMR Offset	15.328
NMR Spectrometer Frequency	300.135
Observed nucleus	1H
Origin	1H_UBI-VK_18310_2415
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: 111519; Labnumber: EX00111867; VK_ID: VK-002416
Temperature	318 °C