| SpectraBase Compound ID | 7Jn4px8we3j |
|---|---|
| InChI | InChI=1S/C18H21NO3/c1-2-3-13-22-17(20)11-12-19-18(21)16-10-6-8-14-7-4-5-9-15(14)16/h4-10H,2-3,11-13H2,1H3,(H,19,21) |
| InChIKey | LVBYLFSDSDOGMR-UHFFFAOYSA-N |
| Mol Weight | 299.37 g/mol |
| Molecular Formula | C18H21NO3 |
| Exact Mass | 299.152144 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GcTxdHo797T |
|---|---|
| Name | .beta.-Alanine, N-(1-naphthoyl)-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 299.152143537 u |
| Formula | C18H21NO3 |
| InChI | InChI=1S/C18H21NO3/c1-2-3-13-22-17(20)11-12-19-18(21)16-10-6-8-14-7-4-5-9-15(14)16/h4-10H,2-3,11-13H2,1H3,(H,19,21) |
| InChIKey | LVBYLFSDSDOGMR-UHFFFAOYSA-N |
| SMILES | C1=2C(=CC=CC2C(NCCC(OCCCC)=O)=O)C=CC=C1 |