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

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2-{[4-allyl-5-(4-toluidinomethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chlorophenyl)acetamide
SpectraBase Compound ID GIthsDUXiQx
InChI InChI=1S/C21H22ClN5OS/c1-3-12-27-19(13-23-17-8-4-15(2)5-9-17)25-26-21(27)29-14-20(28)24-18-10-6-16(22)7-11-18/h3-11,23H,1,12-14H2,2H3,(H,24,28)
InChIKey ZQNPAASLSLJOJN-UHFFFAOYSA-N
Mol Weight 427.95 g/mol
Molecular Formula C21H22ClN5OS
Exact Mass 427.123359 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HZRTleIhzdP
Name 2-{[4-allyl-5-(4-toluidinomethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chlorophenyl)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/C21H22ClN5OS/c1-3-12-27-19(13-23-17-8-4-15(2)5-9-17)25-26-21(27)29-14-20(28)24-18-10-6-16(22)7-11-18/h3-11,23H,1,12-14H2,2H3,(H,24,28)
InChIKey ZQNPAASLSLJOJN-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_18131
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: UZI/9051152; Labnumber: STA-0012169; UZI_ID: UZI-018138
Temperature 313 °C