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2-acetophenylthionicotinic acid

View entire compound with spectra: 2 NMR

2-acetophenylthionicotinic acid
SpectraBase Compound ID 8ytjzOwXK5F
InChI InChI=1S/C14H11NO3S/c16-12(10-5-2-1-3-6-10)9-19-13-11(14(17)18)7-4-8-15-13/h1-8H,9H2,(H,17,18)
InChIKey MJHMABNIGSEYKN-UHFFFAOYSA-N
Mol Weight 273.31 g/mol
Molecular Formula C14H11NO3S
Exact Mass 273.045964 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7yfv6mbBva2
Name 2-[(2-oxo-2-phenylethyl)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/C14H11NO3S/c16-12(10-5-2-1-3-6-10)9-19-13-11(14(17)18)7-4-8-15-13/h1-8H,9H2,(H,17,18)
InChIKey MJHMABNIGSEYKN-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_2414
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: 111518; Labnumber: EX00111866; VK_ID: VK-002415
Temperature 318 °C