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isopropyl {[4-(4-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
SpectraBase Compound ID E7xBMUt3idY
InChI InChI=1S/C20H20ClN3O3S/c1-13(2)27-18(25)12-28-20-23-22-19(14-5-4-6-17(11-14)26-3)24(20)16-9-7-15(21)8-10-16/h4-11,13H,12H2,1-3H3
InChIKey WUSMUCNJMQEYMK-UHFFFAOYSA-N
Mol Weight 417.91 g/mol
Molecular Formula C20H20ClN3O3S
Exact Mass 417.09139 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1ofwo6ljLLQ
Name isopropyl {[4-(4-chlorophenyl)-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}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/C20H20ClN3O3S/c1-13(2)27-18(25)12-28-20-23-22-19(14-5-4-6-17(11-14)26-3)24(20)16-9-7-15(21)8-10-16/h4-11,13H,12H2,1-3H3
InChIKey WUSMUCNJMQEYMK-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11136
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: E06135; Labnumber: GRES-16748; SBI_ID: SBI-011139
Temperature 306 °C