![4-[(4-oxo-2-thioxo-1,4-dihydro-3(2H)-quinazolinyl)methyl]-N-pentylcyclohexanecarboxamide](/api/spectrum/Ezy1nkJFD5Q/structure.png?h=300&w=458 "4-[(4-oxo-2-thioxo-1,4-dihydro-3(2H)-quinazolinyl)methyl]-N-pentylcyclohexanecarboxamide")
| SpectraBase Compound ID | 308V4x4p98p |
|---|---|
| InChI | InChI=1S/C21H29N3O2S/c1-2-3-6-13-22-19(25)16-11-9-15(10-12-16)14-24-20(26)17-7-4-5-8-18(17)23-21(24)27/h4-5,7-8,15-16H,2-3,6,9-14H2,1H3,(H,22,25)(H,23,27) |
| InChIKey | MCBNMQCJRYPSEE-UHFFFAOYSA-N |
| Mol Weight | 387.54 g/mol |
| Molecular Formula | C21H29N3O2S |
| Exact Mass | 387.198048 g/mol |
1H Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | Ezy1nkJFD5Q |
|---|---|
| Name | 4-[(4-oxo-2-thioxo-1,4-dihydro-3(2H)-quinazolinyl)methyl]-N-pentylcyclohexanecarboxamide |
| Copyright | Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 387.198048358 u |
| Formula | C21H29N3O2S |
| InChI | InChI=1S/C21H29N3O2S/c1-2-3-6-13-22-19(25)16-11-9-15(10-12-16)14-24-20(26)17-7-4-5-8-18(17)23-21(24)27/h4-5,7-8,15-16H,2-3,6,9-14H2,1H3,(H,22,25)(H,23,27) |
| InChIKey | MCBNMQCJRYPSEE-UHFFFAOYSA-N |
| Molecular Weight | 387.542 g/mol |
| NMR Offset | 18.0068 |
| NMR Spectrometer Frequency | 500.134 |
| Observed nucleus | 1H |
| Sample State | Soluted |
| Sample_ID | 1H_CB_2020_2538 |
| Solvent | DMSO-d6 |
| Source | Vendor ID: NMR/12279608 |