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N-(1,3-benzodioxol-5-yl)-2-({5-[(4-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
SpectraBase Compound ID 2Tw7wxsudjw
InChI InChI=1S/C20H19ClN4O4S/c1-2-25-18(10-27-15-6-3-13(21)4-7-15)23-24-20(25)30-11-19(26)22-14-5-8-16-17(9-14)29-12-28-16/h3-9H,2,10-12H2,1H3,(H,22,26)
InChIKey TYSBTGGQQICGBU-UHFFFAOYSA-N
Mol Weight 446.91 g/mol
Molecular Formula C20H19ClN4O4S
Exact Mass 446.081554 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID D31z0W7ylVW
Name N-(1,3-benzodioxol-5-yl)-2-({5-[(4-chlorophenoxy)methyl]-4-ethyl-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/C20H19ClN4O4S/c1-2-25-18(10-27-15-6-3-13(21)4-7-15)23-24-20(25)30-11-19(26)22-14-5-8-16-17(9-14)29-12-28-16/h3-9H,2,10-12H2,1H3,(H,22,26)
InChIKey TYSBTGGQQICGBU-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11251
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: E06535; Labnumber: GRES-24285; SBI_ID: SBI-011254
Temperature 315 °C