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2-{[5-(2-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-mesitylacetamide
SpectraBase Compound ID 5eBQ2biot3p
InChI InChI=1S/C25H22Cl2N4OS/c1-15-12-16(2)23(17(3)13-15)28-22(32)14-33-25-30-29-24(20-6-4-5-7-21(20)27)31(25)19-10-8-18(26)9-11-19/h4-13H,14H2,1-3H3,(H,28,32)
InChIKey KCZFOEQEIXFTEH-UHFFFAOYSA-N
Mol Weight 497.44 g/mol
Molecular Formula C25H22Cl2N4OS
Exact Mass 496.089138 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9mLGRuWYpWo
Name 2-{[5-(2-chlorophenyl)-4-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-mesitylacetamide
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/C25H22Cl2N4OS/c1-15-12-16(2)23(17(3)13-15)28-22(32)14-33-25-30-29-24(20-6-4-5-7-21(20)27)31(25)19-10-8-18(26)9-11-19/h4-13H,14H2,1-3H3,(H,28,32)
InChIKey KCZFOEQEIXFTEH-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14593
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: D98746; Labnumber: GRES-25779; SBI_ID: SBI-014596
Temperature 318 °C