| SpectraBase Spectrum ID |
9WkRWYg34J1 |
| Name |
N-1-Naphthyl-beta-alanine, ethyl ester, hydrochloride |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
279.102606522 u |
| Formula |
C15H18ClNO2 |
| InChI |
InChI=1S/C15H17NO2.ClH/c1-2-18-15(17)10-11-16-14-9-5-7-12-6-3-4-8-13(12)14;/h3-9,16H,2,10-11H2,1H3;1H |
| InChIKey |
WSDMRJSAZWQITG-UHFFFAOYSA-N |
| Molecular Weight |
279.767 g/mol |
| SMILES |
N(C=1C=2C=CC=CC2C=CC1)CCC(=O)OCC.Cl |
| Spectrum/Structure Validation Score (Raman) |
0.712089 |
