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2-{[4-allyl-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
SpectraBase Compound ID cdktVntVZP
InChI InChI=1S/C21H20Cl2N4O2S/c1-4-8-27-20(14-6-5-7-15(22)10-14)25-26-21(27)30-12-19(28)24-17-9-13(2)16(23)11-18(17)29-3/h4-7,9-11H,1,8,12H2,2-3H3,(H,24,28)
InChIKey AXVNYMXBSHNTMT-UHFFFAOYSA-N
Mol Weight 463.38 g/mol
Molecular Formula C21H20Cl2N4O2S
Exact Mass 462.068402 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 98uYyGZmF5M
Name 2-{[4-allyl-5-(3-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chloro-2-methoxy-5-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/C21H20Cl2N4O2S/c1-4-8-27-20(14-6-5-7-15(22)10-14)25-26-21(27)30-12-19(28)24-17-9-13(2)16(23)11-18(17)29-3/h4-7,9-11H,1,8,12H2,2-3H3,(H,24,28)
InChIKey AXVNYMXBSHNTMT-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11424
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: E06315; Labnumber: GRES-20387; SBI_ID: SBI-011427
Temperature 308 °C