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2-{[5-(3-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-isopropylphenyl)acetamide
SpectraBase Compound ID Hp9aSX39qRD
InChI InChI=1S/C21H23ClN4OS/c1-4-26-20(15-8-7-9-16(22)12-15)24-25-21(26)28-13-19(27)23-18-11-6-5-10-17(18)14(2)3/h5-12,14H,4,13H2,1-3H3,(H,23,27)
InChIKey PEKVPUTVWGEFQQ-UHFFFAOYSA-N
Mol Weight 414.96 g/mol
Molecular Formula C21H23ClN4OS
Exact Mass 414.12811 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID F5QhkNqtWTU
Name 2-{[5-(3-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-isopropylphenyl)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/C21H23ClN4OS/c1-4-26-20(15-8-7-9-16(22)12-15)24-25-21(26)28-13-19(27)23-18-11-6-5-10-17(18)14(2)3/h5-12,14H,4,13H2,1-3H3,(H,23,27)
InChIKey PEKVPUTVWGEFQQ-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11459
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: E06360; Labnumber: GRES-21304; SBI_ID: SBI-011462
Temperature 308 °C