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ethyl [({[4-(4-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]acetate
SpectraBase Compound ID EK79bRAHrRM
InChI InChI=1S/C21H21ClN4O4S/c1-3-30-19(28)12-23-18(27)13-31-21-25-24-20(14-5-4-6-17(11-14)29-2)26(21)16-9-7-15(22)8-10-16/h4-11H,3,12-13H2,1-2H3,(H,23,27)
InChIKey YTIYPUKCFOLDAE-UHFFFAOYSA-N
Mol Weight 460.94 g/mol
Molecular Formula C21H21ClN4O4S
Exact Mass 460.097204 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DjJKvWtGnJn
Name ethyl [({[4-(4-chlorophenyl)-5-(3-methoxyphenyl)-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/C21H21ClN4O4S/c1-3-30-19(28)12-23-18(27)13-31-21-25-24-20(14-5-4-6-17(11-14)29-2)26(21)16-9-7-15(22)8-10-16/h4-11H,3,12-13H2,1-2H3,(H,23,27)
InChIKey YTIYPUKCFOLDAE-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11513
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: E06434; Labnumber: GRES-22512; SBI_ID: SBI-011516
Temperature 308 °C