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2-{[4-allyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chlorophenyl)acetamide
SpectraBase Compound ID 94R8UeHtrwi
InChI InChI=1S/C18H16ClN5OS/c1-2-10-24-17(13-4-3-9-20-11-13)22-23-18(24)26-12-16(25)21-15-7-5-14(19)6-8-15/h2-9,11H,1,10,12H2,(H,21,25)
InChIKey CNQRGRVNFCZUOY-UHFFFAOYSA-N
Mol Weight 385.87 g/mol
Molecular Formula C18H16ClN5OS
Exact Mass 385.076409 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9Ovwk4JFvT
Name 2-{[4-allyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chlorophenyl)acetamide
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/C18H16ClN5OS/c1-2-10-24-17(13-4-3-9-20-11-13)22-23-18(24)26-12-16(25)21-15-7-5-14(19)6-8-15/h2-9,11H,1,10,12H2,(H,21,25)
InChIKey CNQRGRVNFCZUOY-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_29132
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: D91250; Labnumber: VGU-0022742; SBI_ID: SBI-029136
Temperature 318 °C