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2-{[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(dimethylamino)phenyl]acetamide
SpectraBase Compound ID 2qkEldvjKkH
InChI InChI=1S/C25H24ClN5O2S/c1-30(2)20-10-8-19(9-11-20)27-23(32)16-34-25-29-28-24(17-4-6-18(26)7-5-17)31(25)21-12-14-22(33-3)15-13-21/h4-15H,16H2,1-3H3,(H,27,32)
InChIKey FNLPYYKOPRBWFO-UHFFFAOYSA-N
Mol Weight 494.01 g/mol
Molecular Formula C25H24ClN5O2S
Exact Mass 493.133924 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1eJkqSPzOvq
Name 2-{[5-(4-chlorophenyl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(dimethylamino)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/C25H24ClN5O2S/c1-30(2)20-10-8-19(9-11-20)27-23(32)16-34-25-29-28-24(17-4-6-18(26)7-5-17)31(25)21-12-14-22(33-3)15-13-21/h4-15H,16H2,1-3H3,(H,27,32)
InChIKey FNLPYYKOPRBWFO-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4919
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: E08367; Labnumber: GRES-36974; SBI_ID: SBI-004921
Temperature 308 °C