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N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({4-(4-methoxyphenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide

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N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({4-(4-methoxyphenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
SpectraBase Compound ID ECwboxPosRv
InChI InChI=1S/C27H26N4O5S/c1-18-3-8-22(9-4-18)36-16-25-29-30-27(31(25)20-6-10-21(33-2)11-7-20)37-17-26(32)28-19-5-12-23-24(15-19)35-14-13-34-23/h3-12,15H,13-14,16-17H2,1-2H3,(H,28,32)
InChIKey GUEROOPYNWBSKO-UHFFFAOYSA-N
Mol Weight 518.59 g/mol
Molecular Formula C27H26N4O5S
Exact Mass 518.162391 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8jObp0qi6u4
Name N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-({4-(4-methoxyphenyl)-5-[(4-methylphenoxy)methyl]-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/C27H26N4O5S/c1-18-3-8-22(9-4-18)36-16-25-29-30-27(31(25)20-6-10-21(33-2)11-7-20)37-17-26(32)28-19-5-12-23-24(15-19)35-14-13-34-23/h3-12,15H,13-14,16-17H2,1-2H3,(H,28,32)
InChIKey GUEROOPYNWBSKO-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11231
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: E06514; Labnumber: GRES-23838; SBI_ID: SBI-011234
Temperature 315 °C