| SpectraBase Compound ID | 6zeF2r7h9oi |
|---|---|
| InChI | InChI=1S/C14H12O5/c1-8(13(15)16)19-12-7-10-5-3-2-4-9(10)6-11(12)14(17)18/h2-8H,1H3,(H,15,16)(H,17,18) |
| InChIKey | CTYWMARFGRGOSY-UHFFFAOYSA-N |
| Mol Weight | 260.25 g/mol |
| Molecular Formula | C14H12O5 |
| Exact Mass | 260.068473 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | B5RsC9cijBo |
|---|---|
| Name | 3-(1-Carboxyethoxy)-2-naphthoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 260.068473481 u |
| Formula | C14H12O5 |
| InChI | InChI=1S/C14H12O5/c1-8(13(15)16)19-12-7-10-5-3-2-4-9(10)6-11(12)14(17)18/h2-8H,1H3,(H,15,16)(H,17,18) |
| InChIKey | CTYWMARFGRGOSY-UHFFFAOYSA-N |
| SMILES | OC(C1=CC2=C(C=C1OC(C(=O)O)C)C=CC=C2)=O |
| Spectrum/Structure Validation Score (Raman) | 0.903759 |