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2-{[4-allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
SpectraBase Compound ID EhXN09tLRtn
InChI InChI=1S/C22H22N4O4S/c1-2-10-26-20(14-30-17-6-4-3-5-7-17)24-25-22(26)31-15-21(27)23-16-8-9-18-19(13-16)29-12-11-28-18/h2-9,13H,1,10-12,14-15H2,(H,23,27)
InChIKey BNQDJXUYEDJSJM-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 BtSu3uXspxE
Name 2-{[4-allyl-5-(phenoxymethyl)-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/c1-2-10-26-20(14-30-17-6-4-3-5-7-17)24-25-22(26)31-15-21(27)23-16-8-9-18-19(13-16)29-12-11-28-18/h2-9,13H,1,10-12,14-15H2,(H,23,27)
InChIKey BNQDJXUYEDJSJM-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11448
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: E06345; Labnumber: GRES-21037; SBI_ID: SBI-011451
Temperature 308 °C