| SpectraBase Compound ID | CY0IdFMQ9f7 |
|---|---|
| InChI | InChI=1S/C19H29NO3/c1-4-6-8-14-23-19(22)15(3)20-18(21)17-12-10-16(11-13-17)9-7-5-2/h10-13,15H,4-9,14H2,1-3H3,(H,20,21) |
| InChIKey | XFUWYBSDJXIXSA-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 | ILgaIWmjVWJ |
|---|---|
| Name | L-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/c1-4-6-8-14-23-19(22)15(3)20-18(21)17-12-10-16(11-13-17)9-7-5-2/h10-13,15H,4-9,14H2,1-3H3,(H,20,21) |
| InChIKey | XFUWYBSDJXIXSA-UHFFFAOYSA-N |
| Molecular Weight | 319.445 g/mol |
| SMILES | C1=CC(=CC=C1C(NC(C(OCCCCC)=O)C)=O)CCCC |