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2-({5-[(4-chloroanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-isopropyl-N-phenylacetamide
SpectraBase Compound ID E3ngLbqRzLJ
InChI InChI=1S/C26H26ClN5OS/c1-19(2)31(22-9-5-3-6-10-22)25(33)18-34-26-30-29-24(32(26)23-11-7-4-8-12-23)17-28-21-15-13-20(27)14-16-21/h3-16,19,28H,17-18H2,1-2H3
InChIKey CPJWPNGHZLOGBE-UHFFFAOYSA-N
Mol Weight 492.04 g/mol
Molecular Formula C26H26ClN5OS
Exact Mass 491.154659 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3pTiTtSDhw3
Name 2-({5-[(4-chloroanilino)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-isopropyl-N-phenylacetamide
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/C26H26ClN5OS/c1-19(2)31(22-9-5-3-6-10-22)25(33)18-34-26-30-29-24(32(26)23-11-7-4-8-12-23)17-28-21-15-13-20(27)14-16-21/h3-16,19,28H,17-18H2,1-2H3
InChIKey CPJWPNGHZLOGBE-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_5975
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: 121889; Labnumber: EX00112342; VK_ID: VK-005978
Temperature 308 °C