![4-(1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl)-N-[2-(4-methylphenyl)ethyl]butanamide](/api/spectrum/QPfYlegQmD/structure.png?h=300&w=458 "4-(1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl)-N-[2-(4-methylphenyl)ethyl]butanamide")
| SpectraBase Compound ID | EGjTL6A56tk |
|---|---|
| InChI | InChI=1S/C30H31ClN4O4/c1-20-9-12-22(13-10-20)15-16-32-27(36)8-5-17-34-29(38)24-6-3-4-7-26(24)35(30(34)39)19-28(37)33-25-18-23(31)14-11-21(25)2/h3-4,6-7,9-14,18H,5,8,15-17,19H2,1-2H3,(H,32,36)(H,33,37) |
| InChIKey | BGZWUBYGWKILSQ-UHFFFAOYSA-N |
| Mol Weight | 547.06 g/mol |
| Molecular Formula | C30H31ClN4O4 |
| Exact Mass | 546.203383 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | QPfYlegQmD |
|---|---|
| Name | 4-(1-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-2,4-dioxo-1,4-dihydro-3(2H)-quinazolinyl)-N-[2-(4-methylphenyl)ethyl]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 | 546.203383190 u |
| Formula | C30H31ClN4O4 |
| InChI | InChI=1S/C30H31ClN4O4/c1-20-9-12-22(13-10-20)15-16-32-27(36)8-5-17-34-29(38)24-6-3-4-7-26(24)35(30(34)39)19-28(37)33-25-18-23(31)14-11-21(25)2/h3-4,6-7,9-14,18H,5,8,15-17,19H2,1-2H3,(H,32,36)(H,33,37) |
| InChIKey | BGZWUBYGWKILSQ-UHFFFAOYSA-N |
| Molecular Weight | 547.055 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_6049 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12328083 |