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4-[({[4-ethyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzamide
SpectraBase Compound ID BAi2NSnryGZ
InChI InChI=1S/C20H21N5O3S/c1-2-25-17(12-28-16-6-4-3-5-7-16)23-24-20(25)29-13-18(26)22-15-10-8-14(9-11-15)19(21)27/h3-11H,2,12-13H2,1H3,(H2,21,27)(H,22,26)
InChIKey IJEURIGROALQDR-UHFFFAOYSA-N
Mol Weight 411.48 g/mol
Molecular Formula C20H21N5O3S
Exact Mass 411.136511 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 65VmkOO7PKc
Name 4-[({[4-ethyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzamide
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/C20H21N5O3S/c1-2-25-17(12-28-16-6-4-3-5-7-16)23-24-20(25)29-13-18(26)22-15-10-8-14(9-11-15)19(21)27/h3-11H,2,12-13H2,1H3,(H2,21,27)(H,22,26)
InChIKey IJEURIGROALQDR-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_11477
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: E06382; Labnumber: GRES-21750; SBI_ID: SBI-011480
Temperature 308 °C