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2-{[4-allyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,5-dichlorophenyl)acetamide
SpectraBase Compound ID C03A6W9KWs1
InChI InChI=1S/C20H18Cl2N4O2S/c1-3-10-26-19(13-4-7-15(28-2)8-5-13)24-25-20(26)29-12-18(27)23-17-11-14(21)6-9-16(17)22/h3-9,11H,1,10,12H2,2H3,(H,23,27)
InChIKey ICJXFUSADYNFLR-UHFFFAOYSA-N
Mol Weight 449.36 g/mol
Molecular Formula C20H18Cl2N4O2S
Exact Mass 448.052752 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID INay5STiZHq
Name 2-{[4-allyl-5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,5-dichlorophenyl)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/C20H18Cl2N4O2S/c1-3-10-26-19(13-4-7-15(28-2)8-5-13)24-25-20(26)29-12-18(27)23-17-11-14(21)6-9-16(17)22/h3-9,11H,1,10,12H2,2H3,(H,23,27)
InChIKey ICJXFUSADYNFLR-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14516
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: D98627; Labnumber: GRES-23901; SBI_ID: SBI-014519
Temperature 308 °C