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2-{[4-allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-dimethoxyphenyl)acetamide
SpectraBase Compound ID 2CbODs62BSS
InChI InChI=1S/C22H24N4O4S/c1-4-12-26-20(14-30-16-8-6-5-7-9-16)24-25-22(26)31-15-21(27)23-18-11-10-17(28-2)13-19(18)29-3/h4-11,13H,1,12,14-15H2,2-3H3,(H,23,27)
InChIKey HSSJJBSNXKUCBG-UHFFFAOYSA-N
Mol Weight 440.52 g/mol
Molecular Formula C22H24N4O4S
Exact Mass 440.151826 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9NwoEmeXTAp
Name 2-{[4-allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2,4-dimethoxyphenyl)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/C22H24N4O4S/c1-4-12-26-20(14-30-16-8-6-5-7-9-16)24-25-22(26)31-15-21(27)23-18-11-10-17(28-2)13-19(18)29-3/h4-11,13H,1,12,14-15H2,2-3H3,(H,23,27)
InChIKey HSSJJBSNXKUCBG-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11284
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: E06583; Labnumber: GRES-25342; SBI_ID: SBI-011287
Temperature 308 °C