SpectraBase Compound ID | 9xSgbsmpCss |
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InChI | InChI=1S/C26H25BrN4O5/c27-18-10-12-19(13-11-18)29-24(33)17-31-22-8-2-1-7-21(22)25(34)30(26(31)35)14-4-3-9-23(32)28-16-20-6-5-15-36-20/h1-2,5-8,10-13,15H,3-4,9,14,16-17H2,(H,28,32)(H,29,33) |
InChIKey | LAEPATZIUUZKRQ-UHFFFAOYSA-N |
Mol Weight | 553.41 g/mol |
Molecular Formula | C26H25BrN4O5 |
Exact Mass | 552.100833 g/mol |
SpectraBase Spectrum ID | HWV3Y0071AM |
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Name | 5-(1-[2-(4-bromoanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl)-N-(2-furylmethyl)pentanamide |
Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 552.100832916 u |
Formula | C26H25BrN4O5 |
InChI | InChI=1S/C26H25BrN4O5/c27-18-10-12-19(13-11-18)29-24(33)17-31-22-8-2-1-7-21(22)25(34)30(26(31)35)14-4-3-9-23(32)28-16-20-6-5-15-36-20/h1-2,5-8,10-13,15H,3-4,9,14,16-17H2,(H,28,32)(H,29,33) |
InChIKey | LAEPATZIUUZKRQ-UHFFFAOYSA-N |
Molecular Weight | 553.413 g/mol |
NMR Offset | 18.0068 |
NMR Spectrometer Frequency | 500.134 |
Observed nucleus | 1H |
Sample State | Soluted |
Sample_ID | 1H_CB_2020_8091 |
Solvent | DMSO-d6 |
Source | Vendor ID: NMR/13219069 |