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N-{5-[(2,5-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-2,2,2-trifluoroacetamide
SpectraBase Compound ID 8qNci3P6AN5
InChI InChI=1S/C13H12F3N3O2S/c1-7-3-4-8(2)9(5-7)21-6-10-18-19-12(22-10)17-11(20)13(14,15)16/h3-5H,6H2,1-2H3,(H,17,19,20)
InChIKey BLVAZVWXWWBFHL-UHFFFAOYSA-N
Mol Weight 331.31 g/mol
Molecular Formula C13H12F3N3O2S
Exact Mass 331.060232 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LuwrMViLxsu
Name N-{5-[(2,5-dimethylphenoxy)methyl]-1,3,4-thiadiazol-2-yl}-2,2,2-trifluoroacetamide
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/C13H12F3N3O2S/c1-7-3-4-8(2)9(5-7)21-6-10-18-19-12(22-10)17-11(20)13(14,15)16/h3-5H,6H2,1-2H3,(H,17,19,20)
InChIKey BLVAZVWXWWBFHL-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_17570
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: D29163; Labnumber: CEP2K-02402; SBI_ID: SBI-017573
Temperature 306 °C