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2-{[4-allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-mesitylacetamide

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2-{[4-allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-mesitylacetamide
SpectraBase Compound ID 9zjJ0LFMXdE
InChI InChI=1S/C23H26N4O2S/c1-5-11-27-20(14-29-19-9-7-6-8-10-19)25-26-23(27)30-15-21(28)24-22-17(3)12-16(2)13-18(22)4/h5-10,12-13H,1,11,14-15H2,2-4H3,(H,24,28)
InChIKey PCRYIYHDGHKGKU-UHFFFAOYSA-N
Mol Weight 422.55 g/mol
Molecular Formula C23H26N4O2S
Exact Mass 422.177647 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4Hi5OHHnFaB
Name 2-{[4-allyl-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/C23H26N4O2S/c1-5-11-27-20(14-29-19-9-7-6-8-10-19)25-26-23(27)30-15-21(28)24-22-17(3)12-16(2)13-18(22)4/h5-10,12-13H,1,11,14-15H2,2-4H3,(H,24,28)
InChIKey PCRYIYHDGHKGKU-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11235
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: E06519; Labnumber: GRES-23971; SBI_ID: SBI-011238
Temperature 315 °C