| SpectraBase Compound ID | FNktOYHxZ7n |
|---|---|
| InChI | InChI=1S/C19H29NO4/c1-2-3-4-5-6-10-15-23-18(21)13-14-20-19(22)24-16-17-11-8-7-9-12-17/h7-9,11-12H,2-6,10,13-16H2,1H3,(H,20,22) |
| InChIKey | DVLBKIWSWBSTQR-UHFFFAOYSA-N |
| Mol Weight | 335.44 g/mol |
| Molecular Formula | C19H29NO4 |
| Exact Mass | 335.209658 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2f8KQS0nqR4 |
|---|---|
| Name | .beta.-Alanine, N-benzyloxycarbonyl-, octyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 335.209658414 u |
| Formula | C19H29NO4 |
| InChI | InChI=1S/C19H29NO4/c1-2-3-4-5-6-10-15-23-18(21)13-14-20-19(22)24-16-17-11-8-7-9-12-17/h7-9,11-12H,2-6,10,13-16H2,1H3,(H,20,22) |
| InChIKey | DVLBKIWSWBSTQR-UHFFFAOYSA-N |
| Molecular Weight | 335.444 g/mol |
| SMILES | C1=CC=CC=C1COC(NCCC(OCCCCCCCC)=O)=O |