| SpectraBase Compound ID | 9pegA1sG0TE |
|---|---|
| InChI | InChI=1S/C21H33NO3/c1-4-6-7-8-9-10-11-16-25-21(24)17(3)22-20(23)19-14-12-18(5-2)13-15-19/h12-15,17H,4-11,16H2,1-3H3,(H,22,23) |
| InChIKey | XNRVZSHIVHWFHC-UHFFFAOYSA-N |
| Mol Weight | 347.5 g/mol |
| Molecular Formula | C21H33NO3 |
| Exact Mass | 347.246044 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 14RzJ4Skzs2 |
|---|---|
| Name | L-Alanine, N-(4-ethylbenzoyl)-, nonyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 347.246043924 u |
| Formula | C21H33NO3 |
| InChI | InChI=1S/C21H33NO3/c1-4-6-7-8-9-10-11-16-25-21(24)17(3)22-20(23)19-14-12-18(5-2)13-15-19/h12-15,17H,4-11,16H2,1-3H3,(H,22,23) |
| InChIKey | XNRVZSHIVHWFHC-UHFFFAOYSA-N |
| Molecular Weight | 347.499 g/mol |
| SMILES | C1=CC(=CC=C1C(NC(C(OCCCCCCCCC)=O)C)=O)CC |