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2-{[5-(3-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SpectraBase Compound ID FtTh5Zl2Vvy
InChI InChI=1S/C20H19ClN4O3S/c1-2-25-19(13-4-3-5-14(21)10-13)23-24-20(25)29-12-18(26)22-15-6-7-16-17(11-15)28-9-8-27-16/h3-7,10-11H,2,8-9,12H2,1H3,(H,22,26)
InChIKey ISDUYOWRKDHKJC-UHFFFAOYSA-N
Mol Weight 430.91 g/mol
Molecular Formula C20H19ClN4O3S
Exact Mass 430.086639 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7cyzeUgXKKe
Name 2-{[5-(3-chlorophenyl)-4-ethyl-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/C20H19ClN4O3S/c1-2-25-19(13-4-3-5-14(21)10-13)23-24-20(25)29-12-18(26)22-15-6-7-16-17(11-15)28-9-8-27-16/h3-7,10-11H,2,8-9,12H2,1H3,(H,22,26)
InChIKey ISDUYOWRKDHKJC-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11181
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: E06197; Labnumber: GRES-18058; SBI_ID: SBI-011184
Temperature 306 °C