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{[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]sulfanyl}acetic acid

View entire compound with spectra: 1 NMR

{[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)-2-pyridinyl]sulfanyl}acetic acid
SpectraBase Compound ID AKHsOx25Gde
InChI InChI=1S/C18H16N4O5S/c1-25-12-4-9(5-13(26-2)16(12)27-3)15-10(6-19)17(21)22-18(11(15)7-20)28-8-14(23)24/h4-5H,8H2,1-3H3,(H2,21,22)(H,23,24)
InChIKey BWFXPPNJACSPCZ-UHFFFAOYSA-N
Mol Weight 400.41 g/mol
Molecular Formula C18H16N4O5S
Exact Mass 400.084141 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Az5PcOLKMcc
Name {[6-amino-3,5-dicyano-4-(3,4,5-trimethoxyphenyl)-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/C18H16N4O5S/c1-25-12-4-9(5-13(26-2)16(12)27-3)15-10(6-19)17(21)22-18(11(15)7-20)28-8-14(23)24/h4-5H,8H2,1-3H3,(H2,21,22)(H,23,24)
InChIKey BWFXPPNJACSPCZ-UHFFFAOYSA-N
NMR Offset 14.4768
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UBI_21270_15875
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: UZI/8047768; UBI_ID: UBI-015878
Temperature 313 °C