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acetamide, 2-[[5-[3-(1,3-dioxo-1H-benz[de]isoquinolin-2(3H)-yl)propyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-N-(2-pyridinylmethyl)-

View entire compound with spectra: 1 NMR

acetamide, 2-[[5-[3-(1,3-dioxo-1H-benz[de]isoquinolin-2(3H)-yl)propyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-N-(2-pyridinylmethyl)-
SpectraBase Compound ID 729IXQNpeGj
InChI InChI=1S/C31H26N6O3S/c38-27(33-19-22-11-4-5-17-32-22)20-41-31-35-34-26(37(31)23-12-2-1-3-13-23)16-8-18-36-29(39)24-14-6-9-21-10-7-15-25(28(21)24)30(36)40/h1-7,9-15,17H,8,16,18-20H2,(H,33,38)
InChIKey WIELRPMVQWFBQG-UHFFFAOYSA-N
Mol Weight 562.65 g/mol
Molecular Formula C31H26N6O3S
Exact Mass 562.17871 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 96bUMvP7aVv
Name acetamide, 2-[[5-[3-(1,3-dioxo-1H-benz[de]isoquinolin-2(3H)-yl)propyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-N-(2-pyridinylmethyl)-
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/C31H26N6O3S/c38-27(33-19-22-11-4-5-17-32-22)20-41-31-35-34-26(37(31)23-12-2-1-3-13-23)16-8-18-36-29(39)24-14-6-9-21-10-7-15-25(28(21)24)30(36)40/h1-7,9-15,17H,8,16,18-20H2,(H,33,38)
InChIKey WIELRPMVQWFBQG-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_6336
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: NMR/10266478