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N-[3-(acetylamino)phenyl]-2-{[4-allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID CSzOkhYEbOz
InChI InChI=1S/C22H23N5O3S/c1-3-12-27-20(14-30-19-10-5-4-6-11-19)25-26-22(27)31-15-21(29)24-18-9-7-8-17(13-18)23-16(2)28/h3-11,13H,1,12,14-15H2,2H3,(H,23,28)(H,24,29)
InChIKey RHGXJGRXKMTOBJ-UHFFFAOYSA-N
Mol Weight 437.52 g/mol
Molecular Formula C22H23N5O3S
Exact Mass 437.152161 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LVyBXnv0C9N
Name N-[3-(acetylamino)phenyl]-2-{[4-allyl-5-(phenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}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/C22H23N5O3S/c1-3-12-27-20(14-30-19-10-5-4-6-11-19)25-26-22(27)31-15-21(29)24-18-9-7-8-17(13-18)23-16(2)28/h3-11,13H,1,12,14-15H2,2H3,(H,23,28)(H,24,29)
InChIKey RHGXJGRXKMTOBJ-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_4389
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/8118533; UBI_ID: UBI-004390
Temperature 308 °C