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N-(2-tert-butylphenyl)-2-{[5-(3-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID CaWAzizUVjs
InChI InChI=1S/C22H25ClN4OS/c1-5-27-20(15-9-8-10-16(23)13-15)25-26-21(27)29-14-19(28)24-18-12-7-6-11-17(18)22(2,3)4/h6-13H,5,14H2,1-4H3,(H,24,28)
InChIKey BTSIEEMNJYKPPL-UHFFFAOYSA-N
Mol Weight 428.98 g/mol
Molecular Formula C22H25ClN4OS
Exact Mass 428.14376 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 97wT24O1tdU
Name N-(2-tert-butylphenyl)-2-{[5-(3-chlorophenyl)-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/C22H25ClN4OS/c1-5-27-20(15-9-8-10-16(23)13-15)25-26-21(27)29-14-19(28)24-18-12-7-6-11-17(18)22(2,3)4/h6-13H,5,14H2,1-4H3,(H,24,28)
InChIKey BTSIEEMNJYKPPL-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11263
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: E06551; Labnumber: GRES-24577; SBI_ID: SBI-011266
Temperature 308 °C