| SpectraBase Compound ID | Fa65wGhDa7I |
|---|---|
| InChI | InChI=1S/C15H14O2S/c1-2-18-14(15(16)17)10-11-7-8-12-5-3-4-6-13(12)9-11/h3-10H,2H2,1H3,(H,16,17) |
| InChIKey | PAGXXPLVPXGNAV-UHFFFAOYSA-N |
| Mol Weight | 258.33 g/mol |
| Molecular Formula | C15H14O2S |
| Exact Mass | 258.071451 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | LtJBNHevuXS |
|---|---|
| Name | alpha-Ethylthio-2-naphthaleneacrylic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 258.071450863 u |
| Formula | C15H14O2S |
| InChI | InChI=1S/C15H14O2S/c1-2-18-14(15(16)17)10-11-7-8-12-5-3-4-6-13(12)9-11/h3-10H,2H2,1H3,(H,16,17) |
| InChIKey | PAGXXPLVPXGNAV-UHFFFAOYSA-N |
| SMILES | OC(C(=CC=1C=CC=2C=CC=CC2C1)SCC)=O |
| Spectrum/Structure Validation Score (Raman) | 0.925182 |