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[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]acetic acid

View entire compound with spectra: 1 NMR

[(6-butyl-3-cyano-2-pyridinyl)sulfanyl]acetic acid
SpectraBase Compound ID I4awU67uqDT
InChI InChI=1S/C12H14N2O2S/c1-2-3-4-10-6-5-9(7-13)12(14-10)17-8-11(15)16/h5-6H,2-4,8H2,1H3,(H,15,16)
InChIKey WFOLPQAXROBSKL-UHFFFAOYSA-N
Mol Weight 250.32 g/mol
Molecular Formula C12H14N2O2S
Exact Mass 250.077599 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1kQNvcQJZq3
Name [(6-butyl-3-cyano-2-pyridinyl)sulfanyl]acetic 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/C12H14N2O2S/c1-2-3-4-10-6-5-9(7-13)12(14-10)17-8-11(15)16/h5-6H,2-4,8H2,1H3,(H,15,16)
InChIKey WFOLPQAXROBSKL-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_4123
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/8305527; Labnumber: FNG-ru00001; IOH_ID: IOH-004124
Temperature 303 °C