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

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2-({4-allyl-5-[(4-chlorophenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2,5-dichlorophenyl)acetamide
SpectraBase Compound ID 8AEOBl7CkTt
InChI InChI=1S/C20H17Cl3N4O2S/c1-2-9-27-18(11-29-15-6-3-13(21)4-7-15)25-26-20(27)30-12-19(28)24-17-10-14(22)5-8-16(17)23/h2-8,10H,1,9,11-12H2,(H,24,28)
InChIKey FMXLXZJMVLQJCX-UHFFFAOYSA-N
Mol Weight 483.8 g/mol
Molecular Formula C20H17Cl3N4O2S
Exact Mass 482.01378 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID F7GfOy1xRyk
Name 2-({4-allyl-5-[(4-chlorophenoxy)methyl]-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/C20H17Cl3N4O2S/c1-2-9-27-18(11-29-15-6-3-13(21)4-7-15)25-26-20(27)30-12-19(28)24-17-10-14(22)5-8-16(17)23/h2-8,10H,1,9,11-12H2,(H,24,28)
InChIKey FMXLXZJMVLQJCX-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_6800
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/8187980; UBI_ID: UBI-006802
Temperature 308 °C