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N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[4-(2-furylmethyl)-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID 5ScSpU37ezn
InChI InChI=1S/C24H22N4O4S/c1-16-4-2-5-17(12-16)23-26-27-24(28(23)14-19-6-3-9-30-19)33-15-22(29)25-18-7-8-20-21(13-18)32-11-10-31-20/h2-9,12-13H,10-11,14-15H2,1H3,(H,25,29)
InChIKey ZIKQRMJHSZNIJD-UHFFFAOYSA-N
Mol Weight 462.52 g/mol
Molecular Formula C24H22N4O4S
Exact Mass 462.136176 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Dg2HE18ePgR
Name N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[4-(2-furylmethyl)-5-(3-methylphenyl)-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/C24H22N4O4S/c1-16-4-2-5-17(12-16)23-26-27-24(28(23)14-19-6-3-9-30-19)33-15-22(29)25-18-7-8-20-21(13-18)32-11-10-31-20/h2-9,12-13H,10-11,14-15H2,1H3,(H,25,29)
InChIKey ZIKQRMJHSZNIJD-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11488
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: E06397; Labnumber: GRES-21954; SBI_ID: SBI-011491
Temperature 308 °C