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N-(4-bromo-2-methylphenyl)-2-{[4-ethyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

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N-(4-bromo-2-methylphenyl)-2-{[4-ethyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID EQ6aN62CMIx
InChI InChI=1S/C20H21BrN4O2S/c1-3-25-18(12-27-16-7-5-4-6-8-16)23-24-20(25)28-13-19(26)22-17-10-9-15(21)11-14(17)2/h4-11H,3,12-13H2,1-2H3,(H,22,26)
InChIKey HKZIJBSRZYSUQH-UHFFFAOYSA-N
Mol Weight 461.38 g/mol
Molecular Formula C20H21BrN4O2S
Exact Mass 460.05686 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LclLhvQ9lQF
Name N-(4-bromo-2-methylphenyl)-2-{[4-ethyl-5-(phenoxymethyl)-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/C20H21BrN4O2S/c1-3-25-18(12-27-16-7-5-4-6-8-16)23-24-20(25)28-13-19(26)22-17-10-9-15(21)11-14(17)2/h4-11H,3,12-13H2,1-2H3,(H,22,26)
InChIKey HKZIJBSRZYSUQH-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11267
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: E06556; Labnumber: GRES-24667; SBI_ID: SBI-011270
Temperature 308 °C