SpectraBase Compound ID | 9NyXvVKmHyx |
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InChI | InChI=1S/C29H30N4O5/c1-20-9-11-21(12-10-20)18-30-26(34)8-5-17-32-28(36)24-6-3-4-7-25(24)33(29(32)37)19-27(35)31-22-13-15-23(38-2)16-14-22/h3-4,6-7,9-16H,5,8,17-19H2,1-2H3,(H,30,34)(H,31,35) |
InChIKey | PBMJUVWWFLZYBA-UHFFFAOYSA-N |
Mol Weight | 514.58 g/mol |
Molecular Formula | C29H30N4O5 |
Exact Mass | 514.22162 g/mol |
SpectraBase Spectrum ID | 5TeAqYyC4UQ |
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Name | 4-(1-[2-(4-methoxyanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl)-N-(4-methylbenzyl)butanamide |
Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 514.221620077 u |
Formula | C29H30N4O5 |
InChI | InChI=1S/C29H30N4O5/c1-20-9-11-21(12-10-20)18-30-26(34)8-5-17-32-28(36)24-6-3-4-7-25(24)33(29(32)37)19-27(35)31-22-13-15-23(38-2)16-14-22/h3-4,6-7,9-16H,5,8,17-19H2,1-2H3,(H,30,34)(H,31,35) |
InChIKey | PBMJUVWWFLZYBA-UHFFFAOYSA-N |
Molecular Weight | 514.582 g/mol |
NMR Offset | 17.9977 |
NMR Spectrometer Frequency | 500.136 |
Observed nucleus | 1H |
Sample State | Soluted |
Sample_ID | 1H_CB_2020_9519 |
Solvent | DMSO-d6 |
Source | Vendor ID: NMR/13229420 |