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2-{[4-allyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
SpectraBase Compound ID DaX5RW8gPFa
InChI InChI=1S/C18H16FN5OS/c1-2-11-24-17(13-7-9-20-10-8-13)22-23-18(24)26-12-16(25)21-15-5-3-14(19)4-6-15/h2-10H,1,11-12H2,(H,21,25)
InChIKey UQVZMHLNYYUYDA-UHFFFAOYSA-N
Mol Weight 369.42 g/mol
Molecular Formula C18H16FN5OS
Exact Mass 369.105959 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3L7X3WkusNL
Name 2-{[4-allyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-fluorophenyl)acetamide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 369.105959491 u
Formula C18H16FN5OS
InChI InChI=1S/C18H16FN5OS/c1-2-11-24-17(13-7-9-20-10-8-13)22-23-18(24)26-12-16(25)21-15-5-3-14(19)4-6-15/h2-10H,1,11-12H2,(H,21,25)
InChIKey UQVZMHLNYYUYDA-UHFFFAOYSA-N
Molecular Weight 369.418 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_4483
Solvent DMSO-d6
Source Vendor ID: NMR/12309429