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1H-benz[de]isoquinoline-1,3(2H)-dione, 2-[3-[5-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-4-phenyl-4H-1,2,4-triazol-3-yl]propyl]-

View entire compound with spectra: 2 NMR

1H-benz[de]isoquinoline-1,3(2H)-dione, 2-[3-[5-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-4-phenyl-4H-1,2,4-triazol-3-yl]propyl]-
SpectraBase Compound ID EiYJAcMd42K
InChI InChI=1S/C30H29N5O3S/c36-26(33-17-5-2-6-18-33)20-39-30-32-31-25(35(30)22-12-3-1-4-13-22)16-9-19-34-28(37)23-14-7-10-21-11-8-15-24(27(21)23)29(34)38/h1,3-4,7-8,10-15H,2,5-6,9,16-20H2
InChIKey XAUUAMRKPGLLND-UHFFFAOYSA-N
Mol Weight 539.65 g/mol
Molecular Formula C30H29N5O3S
Exact Mass 539.199111 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5cWh9FUsXmc
Name 1H-benz[de]isoquinoline-1,3(2H)-dione, 2-[3-[5-[[2-oxo-2-(1-piperidinyl)ethyl]thio]-4-phenyl-4H-1,2,4-triazol-3-yl]propyl]-
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C30H29N5O3S/c36-26(33-17-5-2-6-18-33)20-39-30-32-31-25(35(30)22-12-3-1-4-13-22)16-9-19-34-28(37)23-14-7-10-21-11-8-15-24(27(21)23)29(34)38/h1,3-4,7-8,10-15H,2,5-6,9,16-20H2
InChIKey XAUUAMRKPGLLND-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_6332
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/10266474