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ethanone, 2-[[5-[(2,4-dichlorophenoxy)methyl]-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]thio]-1-(4-methylphenyl)-
SpectraBase Compound ID 4riuoBS1Dto
InChI InChI=1S/C25H21Cl2N3O2S/c1-16-7-9-18(10-8-16)22(31)15-33-25-29-28-24(30(25)21-6-4-3-5-17(21)2)14-32-23-12-11-19(26)13-20(23)27/h3-13H,14-15H2,1-2H3
InChIKey IZXNJLNZLQJMAZ-UHFFFAOYSA-N
Mol Weight 498.43 g/mol
Molecular Formula C25H21Cl2N3O2S
Exact Mass 497.073154 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4waDrRvDWTI
Name ethanone, 2-[[5-[(2,4-dichlorophenoxy)methyl]-4-(2-methylphenyl)-4H-1,2,4-triazol-3-yl]thio]-1-(4-methylphenyl)-
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/C25H21Cl2N3O2S/c1-16-7-9-18(10-8-16)22(31)15-33-25-29-28-24(30(25)21-6-4-3-5-17(21)2)14-32-23-12-11-19(26)13-20(23)27/h3-13H,14-15H2,1-2H3
InChIKey IZXNJLNZLQJMAZ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_7947
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent ACETONE-d6
Source File Reference VendorID: NMR/11211053; Labnumber: 0414