| SpectraBase Compound ID | LAaz0qOQvmc |
|---|---|
| InChI | InChI=1S/C11H8O2S/c12-11(13)9-5-7-3-1-2-4-8(7)6-10(9)14/h1-6,14H,(H,12,13) |
| InChIKey | XLFFYDFFAKJIEN-UHFFFAOYSA-N |
| Mol Weight | 204.24 g/mol |
| Molecular Formula | C11H8O2S |
| Exact Mass | 204.024501 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | LBvWBDYCpuq |
|---|---|
| Name | 2-Naphthalenecarboxylic acid, 3-mercapto- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.024500670 u |
| Formula | C11H8O2S |
| InChI | InChI=1S/C11H8O2S/c12-11(13)9-5-7-3-1-2-4-8(7)6-10(9)14/h1-6,14H,(H,12,13) |
| InChIKey | XLFFYDFFAKJIEN-UHFFFAOYSA-N |
| Molecular Weight | 204.243 g/mol |
| SMILES | C(O)(=O)C1=CC=2C=CC=CC2C=C1S |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.927546 |