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ethyl [({[5-(2-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]acetate
SpectraBase Compound ID LGxGYnKjrv6
InChI InChI=1S/C21H21ClN4O3S/c1-3-29-19(28)12-23-18(27)13-30-21-25-24-20(16-6-4-5-7-17(16)22)26(21)15-10-8-14(2)9-11-15/h4-11H,3,12-13H2,1-2H3,(H,23,27)
InChIKey VHSBAFHCTBJGKB-UHFFFAOYSA-N
Mol Weight 444.94 g/mol
Molecular Formula C21H21ClN4O3S
Exact Mass 444.102289 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Huza4vXVnzC
Name ethyl [({[5-(2-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]acetate
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/C21H21ClN4O3S/c1-3-29-19(28)12-23-18(27)13-30-21-25-24-20(16-6-4-5-7-17(16)22)26(21)15-10-8-14(2)9-11-15/h4-11H,3,12-13H2,1-2H3,(H,23,27)
InChIKey VHSBAFHCTBJGKB-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14300
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: D98098; Labnumber: GRES-15795; SBI_ID: SBI-014303
Temperature 308 °C