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3-[4-(2-chloro-4,6-dimethylphenoxy)butyl]-2-(4-methoxyphenyl)-4(3H)-quinazolinone
SpectraBase Compound ID 3SA4zXEr8I3
InChI InChI=1S/C27H27ClN2O3/c1-18-16-19(2)25(23(28)17-18)33-15-7-6-14-30-26(20-10-12-21(32-3)13-11-20)29-24-9-5-4-8-22(24)27(30)31/h4-5,8-13,16-17H,6-7,14-15H2,1-3H3
InChIKey XUCBHWVGAVGEOD-UHFFFAOYSA-N
Mol Weight 462.98 g/mol
Molecular Formula C27H27ClN2O3
Exact Mass 462.17102 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID K0ey4WN8UB5
Name 3-[4-(2-chloro-4,6-dimethylphenoxy)butyl]-2-(4-methoxyphenyl)-4(3H)-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/C27H27ClN2O3/c1-18-16-19(2)25(23(28)17-18)33-15-7-6-14-30-26(20-10-12-21(32-3)13-11-20)29-24-9-5-4-8-22(24)27(30)31/h4-5,8-13,16-17H,6-7,14-15H2,1-3H3
InChIKey XUCBHWVGAVGEOD-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_27617
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: D77284; Labnumber: RNOP4-0936; SBI_ID: SBI-027621
Temperature 308 °C