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2-({4-allyl-5-[(4-chloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-chlorophenyl)acetamide
SpectraBase Compound ID G3WqmYXobAj
InChI InChI=1S/C20H19Cl2N5OS/c1-2-10-27-18(12-23-16-8-6-14(21)7-9-16)25-26-20(27)29-13-19(28)24-17-5-3-4-15(22)11-17/h2-9,11,23H,1,10,12-13H2,(H,24,28)
InChIKey DSDHDHWRLVRSFP-UHFFFAOYSA-N
Mol Weight 448.37 g/mol
Molecular Formula C20H19Cl2N5OS
Exact Mass 447.068737 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7Itv1ZM3s4G
Name 2-({4-allyl-5-[(4-chloroanilino)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-chlorophenyl)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/C20H19Cl2N5OS/c1-2-10-27-18(12-23-16-8-6-14(21)7-9-16)25-26-20(27)29-13-19(28)24-17-5-3-4-15(22)11-17/h2-9,11,23H,1,10,12-13H2,(H,24,28)
InChIKey DSDHDHWRLVRSFP-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_5328
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: UZI/8150796; UBI_ID: UBI-005330
Temperature 308 °C