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2-({4-allyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
SpectraBase Compound ID 2UGAR2CVQFq
InChI InChI=1S/C22H20ClF3N4O2S/c1-3-10-30-19(12-32-16-7-4-14(2)5-8-16)28-29-21(30)33-13-20(31)27-18-11-15(22(24,25)26)6-9-17(18)23/h3-9,11H,1,10,12-13H2,2H3,(H,27,31)
InChIKey AJUGUTOFEPRJPT-UHFFFAOYSA-N
Mol Weight 496.94 g/mol
Molecular Formula C22H20ClF3N4O2S
Exact Mass 496.094759 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ftUbtG5nun
Name 2-({4-allyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]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/C22H20ClF3N4O2S/c1-3-10-30-19(12-32-16-7-4-14(2)5-8-16)28-29-21(30)33-13-20(31)27-18-11-15(22(24,25)26)6-9-17(18)23/h3-9,11H,1,10,12-13H2,2H3,(H,27,31)
InChIKey AJUGUTOFEPRJPT-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11398
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: E06930; Labnumber: GRES-31981; SBI_ID: SBI-011401
Temperature 318 °C