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N-(4-butylphenyl)-2-({5-[(4-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
SpectraBase Compound ID Kh2emExkWuS
InChI InChI=1S/C23H27ClN4O2S/c1-3-5-6-17-7-11-19(12-8-17)25-22(29)16-31-23-27-26-21(28(23)4-2)15-30-20-13-9-18(24)10-14-20/h7-14H,3-6,15-16H2,1-2H3,(H,25,29)
InChIKey UCPUTWSOFDOIIO-UHFFFAOYSA-N
Mol Weight 459.01 g/mol
Molecular Formula C23H27ClN4O2S
Exact Mass 458.154325 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9iZV5AKRaak
Name N-(4-butylphenyl)-2-({5-[(4-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)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/C23H27ClN4O2S/c1-3-5-6-17-7-11-19(12-8-17)25-22(29)16-31-23-27-26-21(28(23)4-2)15-30-20-13-9-18(24)10-14-20/h7-14H,3-6,15-16H2,1-2H3,(H,25,29)
InChIKey UCPUTWSOFDOIIO-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4923
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: E08374; Labnumber: GRES-36986; SBI_ID: SBI-004925
Temperature 308 °C