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

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2-{[4-allyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-chloro-2-methylphenyl)acetamide
SpectraBase Compound ID GvSm8hPyfXa
InChI InChI=1S/C21H21ClN4O2S/c1-4-11-26-20(15-6-9-17(28-3)10-7-15)24-25-21(26)29-13-19(27)23-18-12-16(22)8-5-14(18)2/h4-10,12H,1,11,13H2,2-3H3,(H,23,27)
InChIKey PDMKHSUUKGPZCF-UHFFFAOYSA-N
Mol Weight 428.94 g/mol
Molecular Formula C21H21ClN4O2S
Exact Mass 428.107375 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID ItxBhbOempk
Name 2-{[4-allyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-chloro-2-methylphenyl)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/C21H21ClN4O2S/c1-4-11-26-20(15-6-9-17(28-3)10-7-15)24-25-21(26)29-13-19(27)23-18-12-16(22)8-5-14(18)2/h4-10,12H,1,11,13H2,2-3H3,(H,23,27)
InChIKey PDMKHSUUKGPZCF-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14605
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: D98765; Labnumber: GRES-25959; SBI_ID: SBI-014608
Temperature 318 °C