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

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2-{[4-allyl-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-chloro-2-methylphenyl)acetamide
SpectraBase Compound ID GSJGqoWBp3r
InChI InChI=1S/C20H18Cl2N4OS/c1-3-10-26-19(14-5-8-15(21)9-6-14)24-25-20(26)28-12-18(27)23-17-11-16(22)7-4-13(17)2/h3-9,11H,1,10,12H2,2H3,(H,23,27)
InChIKey WCRPHRAPCVDZSM-UHFFFAOYSA-N
Mol Weight 433.36 g/mol
Molecular Formula C20H18Cl2N4OS
Exact Mass 432.057838 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8owa5aKrfyP
Name 2-{[4-allyl-5-(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-chloro-2-methylphenyl)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/C20H18Cl2N4OS/c1-3-10-26-19(14-5-8-15(21)9-6-14)24-25-20(26)28-12-18(27)23-17-11-16(22)7-4-13(17)2/h3-9,11H,1,10,12H2,2H3,(H,23,27)
InChIKey WCRPHRAPCVDZSM-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4397
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: D98944; Labnumber: GRES-28853; SBI_ID: SBI-004399
Temperature 306 °C