| SpectraBase Compound ID | KQOCys4aVDJ |
|---|---|
| InChI | InChI=1S/C13H12S3/c1-2-15-13(14)16-12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,2H2,1H3 |
| InChIKey | SSCODCKVFLYJHT-UHFFFAOYSA-N |
| Mol Weight | 264.42 g/mol |
| Molecular Formula | C13H12S3 |
| Exact Mass | 264.010114 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | CRj0mTEuGeh |
|---|---|
| Name | Trithiocarbonic acid, ethyl 1-naphthyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.010113908 u |
| Formula | C13H12S3 |
| InChI | InChI=1S/C13H12S3/c1-2-15-13(14)16-12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,2H2,1H3 |
| InChIKey | SSCODCKVFLYJHT-UHFFFAOYSA-N |
| SMILES | C=12C=CC=CC1C=CC=C2SC(=S)SCC |
| Spectrum/Structure Validation Score (Raman) | 0.906387 |