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

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2-{[4-allyl-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethoxyphenyl)acetamide
SpectraBase Compound ID 9uzjXwmlycC
InChI InChI=1S/C21H21ClN4O3S/c1-4-9-26-20(14-5-7-15(22)8-6-14)24-25-21(26)30-13-19(27)23-16-10-17(28-2)12-18(11-16)29-3/h4-8,10-12H,1,9,13H2,2-3H3,(H,23,27)
InChIKey CYGPQXBZOZCVFY-UHFFFAOYSA-N
Mol Weight 444.94 g/mol
Molecular Formula C21H21ClN4O3S
Exact Mass 444.102289 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2UPoKlKoyVg
Name 2-{[4-allyl-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dimethoxyphenyl)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/C21H21ClN4O3S/c1-4-9-26-20(14-5-7-15(22)8-6-14)24-25-21(26)30-13-19(27)23-16-10-17(28-2)12-18(11-16)29-3/h4-8,10-12H,1,9,13H2,2-3H3,(H,23,27)
InChIKey CYGPQXBZOZCVFY-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4388
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: D98928; Labnumber: GRES-28657; SBI_ID: SBI-004390
Temperature 306 °C