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2-{[4-allyl-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide

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2-{[4-allyl-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
SpectraBase Compound ID cynbkXozki
InChI InChI=1S/C20H19ClN4O2S/c1-3-12-25-19(14-4-6-15(21)7-5-14)23-24-20(25)28-13-18(26)22-16-8-10-17(27-2)11-9-16/h3-11H,1,12-13H2,2H3,(H,22,26)
InChIKey KCMDICNDNPZYNZ-UHFFFAOYSA-N
Mol Weight 414.91 g/mol
Molecular Formula C20H19ClN4O2S
Exact Mass 414.091725 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 70WVH7lDhnR
Name 2-{[4-allyl-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
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/C20H19ClN4O2S/c1-3-12-25-19(14-4-6-15(21)7-5-14)23-24-20(25)28-13-18(26)22-16-8-10-17(27-2)11-9-16/h3-11H,1,12-13H2,2H3,(H,22,26)
InChIKey KCMDICNDNPZYNZ-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4345
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: D98854; Labnumber: GRES-27328; SBI_ID: SBI-004347
Temperature 306 °C