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2-({5-[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methoxyethyl)acetamide

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2-({5-[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methoxyethyl)acetamide
SpectraBase Compound ID 5LNyLi9XGJU
InChI InChI=1S/C28H27N5O4S/c1-37-17-15-29-24(34)18-38-28-31-30-23(33(28)20-10-3-2-4-11-20)14-7-16-32-26(35)21-12-5-8-19-9-6-13-22(25(19)21)27(32)36/h2-6,8-13H,7,14-18H2,1H3,(H,29,34)
InChIKey SZMRPRUDBQMLJL-UHFFFAOYSA-N
Mol Weight 529.62 g/mol
Molecular Formula C28H27N5O4S
Exact Mass 529.178376 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ar72F36hfYT
Name 2-({5-[3-(1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl)propyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(2-methoxyethyl)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/C28H27N5O4S/c1-37-17-15-29-24(34)18-38-28-31-30-23(33(28)20-10-3-2-4-11-20)14-7-16-32-26(35)21-12-5-8-19-9-6-13-22(25(19)21)27(32)36/h2-6,8-13H,7,14-18H2,1H3,(H,29,34)
InChIKey SZMRPRUDBQMLJL-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_10750
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: 135813; Labnumber: EX00131722; VK_ID: VK-010754
Temperature 318 °C