![N-(2-chlorobenzyl)-5-(1-(2-{[2-(1-cyclohexen-1-yl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl)pentanamide](/api/spectrum/HmL9rW50IzD/structure.png?h=300&w=458 "N-(2-chlorobenzyl)-5-(1-(2-{[2-(1-cyclohexen-1-yl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl)pentanamide")
| SpectraBase Compound ID | 1Afcw164Rpn |
|---|---|
| InChI | InChI=1S/C30H35ClN4O4/c31-25-14-6-4-12-23(25)20-33-27(36)16-8-9-19-34-29(38)24-13-5-7-15-26(24)35(30(34)39)21-28(37)32-18-17-22-10-2-1-3-11-22/h4-7,10,12-15H,1-3,8-9,11,16-21H2,(H,32,37)(H,33,36) |
| InChIKey | YAIZAGXTPZMFCD-UHFFFAOYSA-N |
| Mol Weight | 551.1 g/mol |
| Molecular Formula | C30H35ClN4O4 |
| Exact Mass | 550.234683 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | HmL9rW50IzD |
|---|---|
| Name | N-(2-chlorobenzyl)-5-(1-(2-{[2-(1-cyclohexen-1-yl)ethyl]amino}-2-oxoethyl)-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl)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 | 550.234683319 u |
| Formula | C30H35ClN4O4 |
| InChI | InChI=1S/C30H35ClN4O4/c31-25-14-6-4-12-23(25)20-33-27(36)16-8-9-19-34-29(38)24-13-5-7-15-26(24)35(30(34)39)21-28(37)32-18-17-22-10-2-1-3-11-22/h4-7,10,12-15H,1-3,8-9,11,16-21H2,(H,32,37)(H,33,36) |
| InChIKey | YAIZAGXTPZMFCD-UHFFFAOYSA-N |
| Molecular Weight | 551.087 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_6480 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12328662 |