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2-{[4-allyl-5-(4-tert-butylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide

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2-{[4-allyl-5-(4-tert-butylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide
SpectraBase Compound ID 9QAEsj741J5
InChI InChI=1S/C24H27ClN4O2S/c1-6-13-29-22(16-7-9-17(10-8-16)24(2,3)4)27-28-23(29)32-15-21(30)26-18-11-12-20(31-5)19(25)14-18/h6-12,14H,1,13,15H2,2-5H3,(H,26,30)
InChIKey NFHLFQWDKKHFHI-UHFFFAOYSA-N
Mol Weight 471.02 g/mol
Molecular Formula C24H27ClN4O2S
Exact Mass 470.154325 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HX9VSEqNho0
Name 2-{[4-allyl-5-(4-tert-butylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)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/C24H27ClN4O2S/c1-6-13-29-22(16-7-9-17(10-8-16)24(2,3)4)27-28-23(29)32-15-21(30)26-18-11-12-20(31-5)19(25)14-18/h6-12,14H,1,13,15H2,2-5H3,(H,26,30)
InChIKey NFHLFQWDKKHFHI-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14566
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: D98705; Labnumber: GRES-25263; SBI_ID: SBI-014569
Temperature 318 °C