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N-(2-chlorobenzyl)-3-(1-(2-{[2-(1-cyclohexen-1-yl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl)propanamide

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N-(2-chlorobenzyl)-3-(1-(2-{[2-(1-cyclohexen-1-yl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl)propanamide
SpectraBase Compound ID FXz0V4iJJmK
InChI InChI=1S/C28H31ClN4O4/c29-23-12-6-4-10-21(23)18-31-25(34)15-17-32-27(36)22-11-5-7-13-24(22)33(28(32)37)19-26(35)30-16-14-20-8-2-1-3-9-20/h4-8,10-13H,1-3,9,14-19H2,(H,30,35)(H,31,34)
InChIKey WRYHAYGAPBRXLO-UHFFFAOYSA-N
Mol Weight 523.03 g/mol
Molecular Formula C28H31ClN4O4
Exact Mass 522.203383 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2XQML50a41p
Name N-(2-chlorobenzyl)-3-(1-(2-{[2-(1-cyclohexen-1-yl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl)propanamide
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 522.203383190 u
Formula C28H31ClN4O4
InChI InChI=1S/C28H31ClN4O4/c29-23-12-6-4-10-21(23)18-31-25(34)15-17-32-27(36)22-11-5-7-13-24(22)33(28(32)37)19-26(35)30-16-14-20-8-2-1-3-9-20/h4-8,10-13H,1-3,9,14-19H2,(H,30,35)(H,31,34)
InChIKey WRYHAYGAPBRXLO-UHFFFAOYSA-N
Molecular Weight 523.033 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_6496
Solvent DMSO-d6
Source Vendor ID: NMR/12328681