| SpectraBase Compound ID | 3MyQHYV9E1G |
|---|---|
| InChI | InChI=1S/C21H23N3O2S/c1-15-9-11-16(12-10-15)14-22-19(25)8-4-5-13-24-20(26)17-6-2-3-7-18(17)23-21(24)27/h2-3,6-7,9-12H,4-5,8,13-14H2,1H3,(H,22,25)(H,23,27) |
| InChIKey | DIODHNJJFMSTIF-UHFFFAOYSA-N |
| Mol Weight | 381.49 g/mol |
| Molecular Formula | C21H23N3O2S |
| Exact Mass | 381.151098 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 4ylawBpvP6r |
|---|---|
| Name | N-(4-methylbenzyl)-5-(4-oxo-2-thioxo-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 | 381.151098165 u |
| Formula | C21H23N3O2S |
| InChI | InChI=1S/C21H23N3O2S/c1-15-9-11-16(12-10-15)14-22-19(25)8-4-5-13-24-20(26)17-6-2-3-7-18(17)23-21(24)27/h2-3,6-7,9-12H,4-5,8,13-14H2,1H3,(H,22,25)(H,23,27) |
| InChIKey | DIODHNJJFMSTIF-UHFFFAOYSA-N |
| Molecular Weight | 381.494 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_5943 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12319510 |