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N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[4-phenyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
SpectraBase Compound ID JFTzaeR8ZfJ
InChI InChI=1S/C23H19N5O3S/c29-21(25-17-8-9-19-20(13-17)31-12-11-30-19)15-32-23-27-26-22(16-5-4-10-24-14-16)28(23)18-6-2-1-3-7-18/h1-10,13-14H,11-12,15H2,(H,25,29)
InChIKey NPSOUWWDUCSPDQ-UHFFFAOYSA-N
Mol Weight 445.5 g/mol
Molecular Formula C23H19N5O3S
Exact Mass 445.120861 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ga9OClhaeeR
Name N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[4-phenyl-5-(3-pyridinyl)-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/C23H19N5O3S/c29-21(25-17-8-9-19-20(13-17)31-12-11-30-19)15-32-23-27-26-22(16-5-4-10-24-14-16)28(23)18-6-2-1-3-7-18/h1-10,13-14H,11-12,15H2,(H,25,29)
InChIKey NPSOUWWDUCSPDQ-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_27366
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: D76289; Labnumber: MOR-8640; SBI_ID: SBI-027370
Temperature 315 °C