| SpectraBase Compound ID | FEn9FqZseLv |
|---|---|
| InChI | InChI=1S/C19H29NO3/c1-3-5-7-15-23-18(21)13-14-20-19(22)17-11-9-16(10-12-17)8-6-4-2/h9-12H,3-8,13-15H2,1-2H3,(H,20,22) |
| InChIKey | WJOXUYDGSJUXLQ-UHFFFAOYSA-N |
| Mol Weight | 319.45 g/mol |
| Molecular Formula | C19H29NO3 |
| Exact Mass | 319.214744 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 17S74CPvqWx |
|---|---|
| Name | .beta.-Alanine, N-(4-butylbenzoyl)-, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 319.214743795 u |
| Formula | C19H29NO3 |
| InChI | InChI=1S/C19H29NO3/c1-3-5-7-15-23-18(21)13-14-20-19(22)17-11-9-16(10-12-17)8-6-4-2/h9-12H,3-8,13-15H2,1-2H3,(H,20,22) |
| InChIKey | WJOXUYDGSJUXLQ-UHFFFAOYSA-N |
| Molecular Weight | 319.445 g/mol |
| SMILES | C1=CC(=CC=C1C(NCCC(OCCCCC)=O)=O)CCCC |