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2-{[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-thioxoethyl]sulfanyl}-6-(4-fluorophenyl)-4-(2-thienyl)nicotinonitrile
SpectraBase Compound ID 5wjXeZPn1uH
InChI InChI=1S/C23H17FN4S3/c1-14-10-15(2)28(27-14)22(29)13-31-23-19(12-25)18(21-4-3-9-30-21)11-20(26-23)16-5-7-17(24)8-6-16/h3-11H,13H2,1-2H3
InChIKey UKUMWJDGICAHAW-UHFFFAOYSA-N
Mol Weight 464.6 g/mol
Molecular Formula C23H17FN4S3
Exact Mass 464.059938 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 79FMJNeOFeD
Name 2-{[2-(3,5-dimethyl-1H-pyrazol-1-yl)-2-thioxoethyl]sulfanyl}-6-(4-fluorophenyl)-4-(2-thienyl)nicotinonitrile
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/C23H17FN4S3/c1-14-10-15(2)28(27-14)22(29)13-31-23-19(12-25)18(21-4-3-9-30-21)11-20(26-23)16-5-7-17(24)8-6-16/h3-11H,13H2,1-2H3
InChIKey UKUMWJDGICAHAW-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_34380
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: 8020636; SBI_ID: SBI-034384
Temperature 308 °C