SpectraBase Compound ID | KiRVUmcxpNK |
---|---|
InChI | InChI=1S/C27H26FN3O3/c1-19-11-13-20(14-12-19)17-29-25(32)10-5-15-30-26(33)23-8-2-3-9-24(23)31(27(30)34)18-21-6-4-7-22(28)16-21/h2-4,6-9,11-14,16H,5,10,15,17-18H2,1H3,(H,29,32) |
InChIKey | DFAVLLCHGHUQEJ-UHFFFAOYSA-N |
Mol Weight | 459.52 g/mol |
Molecular Formula | C27H26FN3O3 |
Exact Mass | 459.19582 g/mol |
SpectraBase Spectrum ID | DkltSLSoN4e |
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Name | 4-(1-(3-fluorobenzyl)-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 | 459.195819869 u |
Formula | C27H26FN3O3 |
InChI | InChI=1S/C27H26FN3O3/c1-19-11-13-20(14-12-19)17-29-25(32)10-5-15-30-26(33)23-8-2-3-9-24(23)31(27(30)34)18-21-6-4-7-22(28)16-21/h2-4,6-9,11-14,16H,5,10,15,17-18H2,1H3,(H,29,32) |
InChIKey | DFAVLLCHGHUQEJ-UHFFFAOYSA-N |
Molecular Weight | 459.521 g/mol |
NMR Offset | 18.0004 |
NMR Spectrometer Frequency | 500.136 |
Observed nucleus | 1H |
Sample State | Soluted |
Sample_ID | 1H_CB_2020_9488 |
Solvent | DMSO-d6 |
Source | Vendor ID: NMR/13229385 |