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2-{[4-allyl-5-(3-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SpectraBase Compound ID 7wz3WBc7PPX
InChI InChI=1S/C22H22N4O4S/c1-3-9-26-21(15-5-4-6-17(12-15)28-2)24-25-22(26)31-14-20(27)23-16-7-8-18-19(13-16)30-11-10-29-18/h3-8,12-13H,1,9-11,14H2,2H3,(H,23,27)
InChIKey RLHGBBVPZPPIRS-UHFFFAOYSA-N
Mol Weight 438.5 g/mol
Molecular Formula C22H22N4O4S
Exact Mass 438.136176 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID K46SrHKjaCo
Name 2-{[4-allyl-5-(3-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/C22H22N4O4S/c1-3-9-26-21(15-5-4-6-17(12-15)28-2)24-25-22(26)31-14-20(27)23-16-7-8-18-19(13-16)30-11-10-29-18/h3-8,12-13H,1,9-11,14H2,2H3,(H,23,27)
InChIKey RLHGBBVPZPPIRS-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11142
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: E06143; Labnumber: GRES-16998; SBI_ID: SBI-011145
Temperature 306 °C