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2-{3-oxo-3-[2-(2-propynylsulfanyl)-1H-benzimidazol-1-yl]propyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione
SpectraBase Compound ID 9PfhoTc7TqB
InChI InChI=1S/C25H17N3O3S/c1-2-15-32-25-26-19-11-3-4-12-20(19)28(25)21(29)13-14-27-23(30)17-9-5-7-16-8-6-10-18(22(16)17)24(27)31/h1,3-12H,13-15H2
InChIKey GGNZCQKYXVFNAG-UHFFFAOYSA-N
Mol Weight 439.49 g/mol
Molecular Formula C25H17N3O3S
Exact Mass 439.099063 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID D9h2GOR5Fr7
Name 2-{3-oxo-3-[2-(2-propynylsulfanyl)-1H-benzimidazol-1-yl]propyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione
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/C25H17N3O3S/c1-2-15-32-25-26-19-11-3-4-12-20(19)28(25)21(29)13-14-27-23(30)17-9-5-7-16-8-6-10-18(22(16)17)24(27)31/h1,3-12H,13-15H2
InChIKey GGNZCQKYXVFNAG-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_2435
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: 111543; Labnumber: EX00111947; VK_ID: VK-002436
Temperature 318 °C