| SpectraBase Compound ID | 5DZN5w9Efzk |
|---|---|
| InChI | InChI=1S/C19H29NO3/c1-3-4-5-6-7-10-15-23-18(21)13-14-20-19(22)17-12-9-8-11-16(17)2/h8-9,11-12H,3-7,10,13-15H2,1-2H3,(H,20,22) |
| InChIKey | NUQBSCAETFKZLB-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 | LllA2z6c3JH |
|---|---|
| Name | .beta.-Alanine, N-(2-methylbenzoyl)-, octyl 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/c1-3-4-5-6-7-10-15-23-18(21)13-14-20-19(22)17-12-9-8-11-16(17)2/h8-9,11-12H,3-7,10,13-15H2,1-2H3,(H,20,22) |
| InChIKey | NUQBSCAETFKZLB-UHFFFAOYSA-N |
| Molecular Weight | 319.445 g/mol |
| SMILES | C1(=CC=CC=C1C(NCCC(OCCCCCCCC)=O)=O)C |