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acetic acid, [[5-[3-(1,3-dioxo-1H-benz[de]isoquinolin-2(3H)-yl)propyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, ethyl ester

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acetic acid, [[5-[3-(1,3-dioxo-1H-benz[de]isoquinolin-2(3H)-yl)propyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, ethyl ester
SpectraBase Compound ID D0tDtZsV5td
InChI InChI=1S/C27H24N4O4S/c1-2-35-23(32)17-36-27-29-28-22(31(27)19-11-4-3-5-12-19)15-8-16-30-25(33)20-13-6-9-18-10-7-14-21(24(18)20)26(30)34/h3-7,9-14H,2,8,15-17H2,1H3
InChIKey XVIXGERSFOTNLH-UHFFFAOYSA-N
Mol Weight 500.57 g/mol
Molecular Formula C27H24N4O4S
Exact Mass 500.151826 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 6SxxxAKOfea
Name acetic acid, [[5-[3-(1,3-dioxo-1H-benz[de]isoquinolin-2(3H)-yl)propyl]-4-phenyl-4H-1,2,4-triazol-3-yl]thio]-, ethyl ester
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/C27H24N4O4S/c1-2-35-23(32)17-36-27-29-28-22(31(27)19-11-4-3-5-12-19)15-8-16-30-25(33)20-13-6-9-18-10-7-14-21(24(18)20)26(30)34/h3-7,9-14H,2,8,15-17H2,1H3
InChIKey XVIXGERSFOTNLH-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_8313_6350
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/10266495