SpectraBase Compound ID | JvSKVEbwwf8 |
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InChI | InChI=1S/C28H26N4O3/c1-20-12-14-21(15-13-20)18-30-26(33)11-6-16-31-27(34)24-9-4-5-10-25(24)32(28(31)35)19-23-8-3-2-7-22(23)17-29/h2-5,7-10,12-15H,6,11,16,18-19H2,1H3,(H,30,33) |
InChIKey | AKROHTWZMQDDDD-UHFFFAOYSA-N |
Mol Weight | 466.54 g/mol |
Molecular Formula | C28H26N4O3 |
Exact Mass | 466.200491 g/mol |
SpectraBase Spectrum ID | KHzA7CE4XS2 |
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Name | 4-(1-(2-cyanobenzyl)-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 | 466.200490710 u |
Formula | C28H26N4O3 |
InChI | InChI=1S/C28H26N4O3/c1-20-12-14-21(15-13-20)18-30-26(33)11-6-16-31-27(34)24-9-4-5-10-25(24)32(28(31)35)19-23-8-3-2-7-22(23)17-29/h2-5,7-10,12-15H,6,11,16,18-19H2,1H3,(H,30,33) |
InChIKey | AKROHTWZMQDDDD-UHFFFAOYSA-N |
Molecular Weight | 466.541 g/mol |
NMR Offset | 18.0005 |
NMR Spectrometer Frequency | 500.136 |
Observed nucleus | 1H |
Sample State | Soluted |
Sample_ID | 1H_CB_2020_9507 |
Solvent | DMSO-d6 |
Source | Vendor ID: NMR/13229404 |