SpectraBase Compound ID | 8AU4XGRYTwA |
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InChI | InChI=1S/C28H26BrFN4O4/c1-18-8-10-19(11-9-18)16-31-25(35)7-4-14-33-27(37)21-5-2-3-6-24(21)34(28(33)38)17-26(36)32-23-13-12-20(29)15-22(23)30/h2-3,5-6,8-13,15H,4,7,14,16-17H2,1H3,(H,31,35)(H,32,36) |
InChIKey | YRGDGMXDHVRDDD-UHFFFAOYSA-N |
Mol Weight | 581.44 g/mol |
Molecular Formula | C28H26BrFN4O4 |
Exact Mass | 580.112146 g/mol |
SpectraBase Spectrum ID | IlKgKIBJorQ |
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Name | 4-(1-[2-(4-bromo-2-fluoroanilino)-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 | 580.112146492 u |
Formula | C28H26BrFN4O4 |
InChI | InChI=1S/C28H26BrFN4O4/c1-18-8-10-19(11-9-18)16-31-25(35)7-4-14-33-27(37)21-5-2-3-6-24(21)34(28(33)38)17-26(36)32-23-13-12-20(29)15-22(23)30/h2-3,5-6,8-13,15H,4,7,14,16-17H2,1H3,(H,31,35)(H,32,36) |
InChIKey | YRGDGMXDHVRDDD-UHFFFAOYSA-N |
Molecular Weight | 581.442 g/mol |
NMR Offset | 18.0011 |
NMR Spectrometer Frequency | 500.136 |
Observed nucleus | 1H |
Sample State | Soluted |
Sample_ID | 1H_CB_2020_9516 |
Solvent | DMSO-d6 |
Source | Vendor ID: NMR/13229413 |