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3-[4-(5-isopropyl-2-methylphenoxy)butyl]-2-(4-methoxyphenyl)-4(3H)-quinazolinone
SpectraBase Compound ID AxIxZEHNRdE
InChI InChI=1S/C29H32N2O3/c1-20(2)23-12-11-21(3)27(19-23)34-18-8-7-17-31-28(22-13-15-24(33-4)16-14-22)30-26-10-6-5-9-25(26)29(31)32/h5-6,9-16,19-20H,7-8,17-18H2,1-4H3
InChIKey SQUJOQLHXZFIRM-UHFFFAOYSA-N
Mol Weight 456.6 g/mol
Molecular Formula C29H32N2O3
Exact Mass 456.241293 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DoKKZPmFC3V
Name 3-[4-(5-isopropyl-2-methylphenoxy)butyl]-2-(4-methoxyphenyl)-4(3H)-quinazolinone
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C29H32N2O3/c1-20(2)23-12-11-21(3)27(19-23)34-18-8-7-17-31-28(22-13-15-24(33-4)16-14-22)30-26-10-6-5-9-25(26)29(31)32/h5-6,9-16,19-20H,7-8,17-18H2,1-4H3
InChIKey SQUJOQLHXZFIRM-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10866
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: E03280; Labnumber: RNOP4-1079; SBI_ID: SBI-010869
Temperature 318 °C