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3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]propanamide
SpectraBase Compound ID 4xU9V2IIgOb
InChI InChI=1S/C13H12F3N3OS2/c1-8-18-19-12(22-8)21-6-5-11(20)17-10-4-2-3-9(7-10)13(14,15)16/h2-4,7H,5-6H2,1H3,(H,17,20)
InChIKey JIMUNNSYKYLOIT-UHFFFAOYSA-N
Mol Weight 347.37 g/mol
Molecular Formula C13H12F3N3OS2
Exact Mass 347.037389 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Bx5i5OX81oK
Name 3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[3-(trifluoromethyl)phenyl]propanamide
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/C13H12F3N3OS2/c1-8-18-19-12(22-8)21-6-5-11(20)17-10-4-2-3-9(7-10)13(14,15)16/h2-4,7H,5-6H2,1H3,(H,17,20)
InChIKey JIMUNNSYKYLOIT-UHFFFAOYSA-N
NMR Offset 17.5245
NMR Spectrometer Frequency 500.138
Observed nucleus 1H
Origin 1H_UZI_26187_18250
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/9420483; Labnumber: TQ09043; UZI_ID: UZI-018257
Temperature 300 °C