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N-(1,3-benzodioxol-5-yl)-2-{[5-(4-methoxyphenyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID CFQi21dbf7B
InChI InChI=1S/C24H20N4O4S/c1-30-19-10-7-16(8-11-19)23-26-27-24(28(23)18-5-3-2-4-6-18)33-14-22(29)25-17-9-12-20-21(13-17)32-15-31-20/h2-13H,14-15H2,1H3,(H,25,29)
InChIKey MBKAVIXCZYKNRS-UHFFFAOYSA-N
Mol Weight 460.51 g/mol
Molecular Formula C24H20N4O4S
Exact Mass 460.120526 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8IGgJ2AuwlI
Name N-(1,3-benzodioxol-5-yl)-2-{[5-(4-methoxyphenyl)-4-phenyl-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/C24H20N4O4S/c1-30-19-10-7-16(8-11-19)23-26-27-24(28(23)18-5-3-2-4-6-18)33-14-22(29)25-17-9-12-20-21(13-17)32-15-31-20/h2-13H,14-15H2,1H3,(H,25,29)
InChIKey MBKAVIXCZYKNRS-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_4960
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: E08426; Labnumber: GRES-37048; SBI_ID: SBI-004962
Temperature 308 °C