SpectraBase Spectrum ID |
5o4d9YvGaUU |
Name |
3-(4-Methoxy-1-naphthoyl)propionic acid |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
258.089208927 u |
Formula |
C15H14O4 |
InChI |
InChI=1S/C15H14O4/c1-19-14-8-6-11(13(16)7-9-15(17)18)10-4-2-3-5-12(10)14/h2-6,8H,7,9H2,1H3,(H,17,18) |
InChIKey |
FHGJSJFIQNQBCK-UHFFFAOYSA-N |
Molecular Weight |
258.273 g/mol |
SMILES |
OC(CCC(C1=CC=C(C=2C=CC=CC12)OC)=O)=O |
Spectrum/Structure Validation Score (Raman) |
0.882387 |