| SpectraBase Compound ID | K5NmHJPk1uk |
|---|---|
| InChI | InChI=1S/C20H25NO3/c1-2-3-4-7-15-24-19(22)13-14-21-20(23)18-12-8-10-16-9-5-6-11-17(16)18/h5-6,8-12H,2-4,7,13-15H2,1H3,(H,21,23) |
| InChIKey | SCQLMOUMBMYAIB-UHFFFAOYSA-N |
| Mol Weight | 327.42 g/mol |
| Molecular Formula | C20H25NO3 |
| Exact Mass | 327.183444 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5uNVRWbSdlN |
|---|---|
| Name | .beta.-Alanine, N-(1-naphthoyl)-, hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 327.183443666 u |
| Formula | C20H25NO3 |
| InChI | InChI=1S/C20H25NO3/c1-2-3-4-7-15-24-19(22)13-14-21-20(23)18-12-8-10-16-9-5-6-11-17(16)18/h5-6,8-12H,2-4,7,13-15H2,1H3,(H,21,23) |
| InChIKey | SCQLMOUMBMYAIB-UHFFFAOYSA-N |
| Molecular Weight | 327.424 g/mol |
| SMILES | C1=2C(=CC=CC2C(NCCC(OCCCCCC)=O)=O)C=CC=C1 |