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2,4-dichloro-N-{2-[4-(4-methoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide
SpectraBase Compound ID 9k5E5XhUAbT
InChI InChI=1S/C18H16Cl2N4O2S/c1-26-13-5-3-12(4-6-13)24-16(22-23-18(24)27)8-9-21-17(25)14-7-2-11(19)10-15(14)20/h2-7,10H,8-9H2,1H3,(H,21,25)(H,23,27)
InChIKey LKNNCADDIJGALR-UHFFFAOYSA-N
Mol Weight 423.32 g/mol
Molecular Formula C18H16Cl2N4O2S
Exact Mass 422.037102 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LO95qyzyCUp
Name 2,4-dichloro-N-{2-[4-(4-methoxyphenyl)-5-sulfanyl-4H-1,2,4-triazol-3-yl]ethyl}benzamide
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/C18H16Cl2N4O2S/c1-26-13-5-3-12(4-6-13)24-16(22-23-18(24)27)8-9-21-17(25)14-7-2-11(19)10-15(14)20/h2-7,10H,8-9H2,1H3,(H,21,25)(H,23,27)
InChIKey LKNNCADDIJGALR-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_21327
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: D52994; Labnumber: MPOL-15950; SBI_ID: SBI-021331
Temperature 306 °C