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

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2-{[5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SpectraBase Compound ID 4Yd7oXIf8ed
InChI InChI=1S/C26H23ClN4O5S/c1-33-20-9-5-19(6-10-20)31-24(15-36-21-7-2-17(27)3-8-21)29-30-26(31)37-16-25(32)28-18-4-11-22-23(14-18)35-13-12-34-22/h2-11,14H,12-13,15-16H2,1H3,(H,28,32)
InChIKey MHRWVEROWCOFPV-UHFFFAOYSA-N
Mol Weight 539.01 g/mol
Molecular Formula C26H23ClN4O5S
Exact Mass 538.107769 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID By1n0LTKP4J
Name 2-{[5-[(4-chlorophenoxy)methyl]-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)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/C26H23ClN4O5S/c1-33-20-9-5-19(6-10-20)31-24(15-36-21-7-2-17(27)3-8-21)29-30-26(31)37-16-25(32)28-18-4-11-22-23(14-18)35-13-12-34-22/h2-11,14H,12-13,15-16H2,1H3,(H,28,32)
InChIKey MHRWVEROWCOFPV-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11090
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: E05794; Labnumber: GRES-10498; SBI_ID: SBI-011093
Temperature 318 °C