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2-{[4-allyl-5-(anilinomethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
SpectraBase Compound ID 749j57PhFrZ
InChI InChI=1S/C21H23N5O2S/c1-3-13-26-19(14-22-16-7-5-4-6-8-16)24-25-21(26)29-15-20(27)23-17-9-11-18(28-2)12-10-17/h3-12,22H,1,13-15H2,2H3,(H,23,27)
InChIKey JWNJPLOAHTVNPH-UHFFFAOYSA-N
Mol Weight 409.51 g/mol
Molecular Formula C21H23N5O2S
Exact Mass 409.157246 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CLSGJyG2jl8
Name 2-{[4-allyl-5-(anilinomethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methoxyphenyl)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/C21H23N5O2S/c1-3-13-26-19(14-22-16-7-5-4-6-8-16)24-25-21(26)29-15-20(27)23-17-9-11-18(28-2)12-10-17/h3-12,22H,1,13-15H2,2H3,(H,23,27)
InChIKey JWNJPLOAHTVNPH-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_4399
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: UZI/8119226; UBI_ID: UBI-004400
Temperature 308 °C