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N-(4-chloro-3-nitrophenyl)-2-{[4-methyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID LXgdAtOM2lU
InChI InChI=1S/C16H13ClN6O3S/c1-22-15(10-4-6-18-7-5-10)20-21-16(22)27-9-14(24)19-11-2-3-12(17)13(8-11)23(25)26/h2-8H,9H2,1H3,(H,19,24)
InChIKey VPDPHLIBROTRIS-UHFFFAOYSA-N
Mol Weight 404.83 g/mol
Molecular Formula C16H13ClN6O3S
Exact Mass 404.045837 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 3kUjz97WXUf
Name N-(4-chloro-3-nitrophenyl)-2-{[4-methyl-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}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/C16H13ClN6O3S/c1-22-15(10-4-6-18-7-5-10)20-21-16(22)27-9-14(24)19-11-2-3-12(17)13(8-11)23(25)26/h2-8H,9H2,1H3,(H,19,24)
InChIKey VPDPHLIBROTRIS-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_6697
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/1266730; Labnumber: COL3258; UZI_ID: UZI-006699
Temperature 318 °C