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acetamide, 2-[[5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-N-[[4-(1-methylethyl)phenyl]methyl]-
SpectraBase Compound ID Y92zZG7onu
InChI InChI=1S/C26H25FN4OS/c1-18(2)20-13-11-19(12-14-20)16-28-24(32)17-33-26-30-29-25(21-7-6-8-22(27)15-21)31(26)23-9-4-3-5-10-23/h3-15,18H,16-17H2,1-2H3,(H,28,32)
InChIKey DTACYSZESQSRDI-UHFFFAOYSA-N
Mol Weight 460.57 g/mol
Molecular Formula C26H25FN4OS
Exact Mass 460.173311 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AuBiWI0Pf5u
Name acetamide, 2-[[5-(3-fluorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-N-[[4-(1-methylethyl)phenyl]methyl]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 460.173310777 u
Formula C26H25FN4OS
InChI InChI=1S/C26H25FN4OS/c1-18(2)20-13-11-19(12-14-20)16-28-24(32)17-33-26-30-29-25(21-7-6-8-22(27)15-21)31(26)23-9-4-3-5-10-23/h3-15,18H,16-17H2,1-2H3,(H,28,32)
InChIKey DTACYSZESQSRDI-UHFFFAOYSA-N
Molecular Weight 460.571 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_13386
Solvent DMSO-d6
Source Vendor ID: NMR/10300058; Lab Info: LP; Lab Number: LP-205248