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2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-7-(4-methylphenyl)-7,8-dihydro-5(6H)-quinazolinone
SpectraBase Compound ID FYBOsZbWG5T
InChI InChI=1S/C27H28N4O3/c1-18-2-5-20(6-3-18)21-13-23-22(24(32)14-21)15-28-27(29-23)31-10-8-30(9-11-31)16-19-4-7-25-26(12-19)34-17-33-25/h2-7,12,15,21H,8-11,13-14,16-17H2,1H3
InChIKey VXYVVYPSCOGVLI-UHFFFAOYSA-N
Mol Weight 456.55 g/mol
Molecular Formula C27H28N4O3
Exact Mass 456.216141 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1jHVMsY8LYx
Name 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-7-(4-methylphenyl)-7,8-dihydro-5(6H)-quinazolinone
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/C27H28N4O3/c1-18-2-5-20(6-3-18)21-13-23-22(24(32)14-21)15-28-27(29-23)31-10-8-30(9-11-31)16-19-4-7-25-26(12-19)34-17-33-25/h2-7,12,15,21H,8-11,13-14,16-17H2,1H3
InChIKey VXYVVYPSCOGVLI-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_29485
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: D93383; Labnumber: NC_0104-1292A; SBI_ID: SBI-029489
Temperature 308 °C