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acetamide, 2-[[4-(2-propenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]-N-[2-(trifluoromethyl)phenyl]-
SpectraBase Compound ID Cs5CXxS0umY
InChI InChI=1S/C19H16F3N5OS/c1-2-10-27-17(13-6-5-9-23-11-13)25-26-18(27)29-12-16(28)24-15-8-4-3-7-14(15)19(20,21)22/h2-9,11H,1,10,12H2,(H,24,28)
InChIKey JWYFYPPRZCPMOX-UHFFFAOYSA-N
Mol Weight 419.43 g/mol
Molecular Formula C19H16F3N5OS
Exact Mass 419.102766 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID E5M7VcyxEiR
Name acetamide, 2-[[4-(2-propenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]thio]-N-[2-(trifluoromethyl)phenyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 419.102765817 u
Formula C19H16F3N5OS
InChI InChI=1S/C19H16F3N5OS/c1-2-10-27-17(13-6-5-9-23-11-13)25-26-18(27)29-12-16(28)24-15-8-4-3-7-14(15)19(20,21)22/h2-9,11H,1,10,12H2,(H,24,28)
InChIKey JWYFYPPRZCPMOX-UHFFFAOYSA-N
Molecular Weight 419.426 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_14448
Solvent DMSO-d6
Source Vendor ID: NMR/10310301; Lab Info: NKS; Lab Number: NKS-0100026