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2-{[4-(4-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethylphenyl)acetamide

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2-{[4-(4-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethylphenyl)acetamide
SpectraBase Compound ID 3nId89vS4TE
InChI InChI=1S/C25H23ClN4O2S/c1-3-17-7-11-20(12-8-17)27-23(31)16-33-25-29-28-24(18-5-4-6-22(15-18)32-2)30(25)21-13-9-19(26)10-14-21/h4-15H,3,16H2,1-2H3,(H,27,31)
InChIKey MRSHQMVJUGJYSC-UHFFFAOYSA-N
Mol Weight 479.0 g/mol
Molecular Formula C25H23ClN4O2S
Exact Mass 478.123025 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7a6yLHXL61c
Name 2-{[4-(4-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-ethylphenyl)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/C25H23ClN4O2S/c1-3-17-7-11-20(12-8-17)27-23(31)16-33-25-29-28-24(18-5-4-6-22(15-18)32-2)30(25)21-13-9-19(26)10-14-21/h4-15H,3,16H2,1-2H3,(H,27,31)
InChIKey MRSHQMVJUGJYSC-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11384
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: E06906; Labnumber: GRES-31342; SBI_ID: SBI-011387
Temperature 318 °C