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N-(1,3-benzodioxol-5-yl)-2-{[5-(2-chlorophenyl)-4-(2-furylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID 5MBGsViPlFh
InChI InChI=1S/C22H17ClN4O4S/c23-17-6-2-1-5-16(17)21-25-26-22(27(21)11-15-4-3-9-29-15)32-12-20(28)24-14-7-8-18-19(10-14)31-13-30-18/h1-10H,11-13H2,(H,24,28)
InChIKey MMSZEXJNDOOUML-UHFFFAOYSA-N
Mol Weight 468.92 g/mol
Molecular Formula C22H17ClN4O4S
Exact Mass 468.065904 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4gugSaJfKKv
Name N-(1,3-benzodioxol-5-yl)-2-{[5-(2-chlorophenyl)-4-(2-furylmethyl)-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/C22H17ClN4O4S/c23-17-6-2-1-5-16(17)21-25-26-22(27(21)11-15-4-3-9-29-15)32-12-20(28)24-14-7-8-18-19(10-14)31-13-30-18/h1-10H,11-13H2,(H,24,28)
InChIKey MMSZEXJNDOOUML-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_14334
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: D98215; Labnumber: GRES-17458; SBI_ID: SBI-014337
Temperature 308 °C