| SpectraBase Compound ID | B3uJgLHb0n6 |
|---|---|
| InChI | InChI=1S/C19H21NO3/c1-2-3-7-14-23-19(22)16-10-12-17(13-11-16)20-18(21)15-8-5-4-6-9-15/h4-6,8-13H,2-3,7,14H2,1H3,(H,20,21) |
| InChIKey | LYWLFWHVTSCUGC-UHFFFAOYSA-N |
| Mol Weight | 311.38 g/mol |
| Molecular Formula | C19H21NO3 |
| Exact Mass | 311.152144 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BR4HKnqQkP9 |
|---|---|
| Name | Benzoic acid, 4-(benzoylamino)-, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 311.152143537 u |
| Formula | C19H21NO3 |
| InChI | InChI=1S/C19H21NO3/c1-2-3-7-14-23-19(22)16-10-12-17(13-11-16)20-18(21)15-8-5-4-6-9-15/h4-6,8-13H,2-3,7,14H2,1H3,(H,20,21) |
| InChIKey | LYWLFWHVTSCUGC-UHFFFAOYSA-N |
| Molecular Weight | 311.381 g/mol |
| SMILES | N(C(=O)C=1C=CC=CC1)C1=CC=C(C(=O)OCCCCC)C=C1 |