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4(3H)-quinazolinone, 3-(1,3-benzodioxol-5-yl)-2-[[2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]thio]-
SpectraBase Compound ID 7VxjZlYpuGf
InChI InChI=1S/C28H26N4O5S/c1-35-23-9-5-4-8-22(23)30-12-14-31(15-13-30)26(33)17-38-28-29-21-7-3-2-6-20(21)27(34)32(28)19-10-11-24-25(16-19)37-18-36-24/h2-11,16H,12-15,17-18H2,1H3
InChIKey MIIKBMIJVFADFF-UHFFFAOYSA-N
Mol Weight 530.6 g/mol
Molecular Formula C28H26N4O5S
Exact Mass 530.162391 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JINMIEU5D8v
Name 4(3H)-quinazolinone, 3-(1,3-benzodioxol-5-yl)-2-[[2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethyl]thio]-
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/C28H26N4O5S/c1-35-23-9-5-4-8-22(23)30-12-14-31(15-13-30)26(33)17-38-28-29-21-7-3-2-6-20(21)27(34)32(28)19-10-11-24-25(16-19)37-18-36-24/h2-11,16H,12-15,17-18H2,1H3
InChIKey MIIKBMIJVFADFF-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB_3517_380
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/10328010