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N-(4-butylphenyl)-2-{[5-(2-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID GGt81n4Jotc
InChI InChI=1S/C26H24Cl2N4OS/c1-2-3-6-18-9-13-20(14-10-18)29-24(33)17-34-26-31-30-25(22-7-4-5-8-23(22)28)32(26)21-15-11-19(27)12-16-21/h4-5,7-16H,2-3,6,17H2,1H3,(H,29,33)
InChIKey UQMJFEVTQKAJCU-UHFFFAOYSA-N
Mol Weight 511.47 g/mol
Molecular Formula C26H24Cl2N4OS
Exact Mass 510.104788 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KeZJNUeX1jv
Name N-(4-butylphenyl)-2-{[5-(2-chlorophenyl)-4-(4-chlorophenyl)-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/C26H24Cl2N4OS/c1-2-3-6-18-9-13-20(14-10-18)29-24(33)17-34-26-31-30-25(22-7-4-5-8-23(22)28)32(26)21-15-11-19(27)12-16-21/h4-5,7-16H,2-3,6,17H2,1H3,(H,29,33)
InChIKey UQMJFEVTQKAJCU-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4825
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: E08203; Labnumber: GRES-36780; SBI_ID: SBI-004827
Temperature 315 °C