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2-{[4-ethyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-mesitylacetamide
SpectraBase Compound ID Lnm27kjlYD0
InChI InChI=1S/C22H26N4O2S/c1-5-26-19(13-28-18-9-7-6-8-10-18)24-25-22(26)29-14-20(27)23-21-16(3)11-15(2)12-17(21)4/h6-12H,5,13-14H2,1-4H3,(H,23,27)
InChIKey MTHAWFUADPPFOJ-UHFFFAOYSA-N
Mol Weight 410.54 g/mol
Molecular Formula C22H26N4O2S
Exact Mass 410.177647 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7m7CFFQpFa4
Name 2-{[4-ethyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-mesitylacetamide
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/C22H26N4O2S/c1-5-26-19(13-28-18-9-7-6-8-10-18)24-25-22(26)29-14-20(27)23-21-16(3)11-15(2)12-17(21)4/h6-12H,5,13-14H2,1-4H3,(H,23,27)
InChIKey MTHAWFUADPPFOJ-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11127
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: E06124; Labnumber: GRES-16470; SBI_ID: SBI-011130
Temperature 306 °C