| SpectraBase Compound ID | 3OcmXCgOtdy |
|---|---|
| InChI | InChI=1S/C11H14S3/c1-4-13-11(12)14-10-6-5-8(2)9(3)7-10/h5-7H,4H2,1-3H3 |
| InChIKey | OZMFPCQBZVZEJE-UHFFFAOYSA-N |
| Mol Weight | 242.41 g/mol |
| Molecular Formula | C11H14S3 |
| Exact Mass | 242.025764 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | L24wFjuCoSL |
|---|---|
| Name | Trithiocarbonic acid, ethyl 3,4-xylyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.025763973 u |
| Formula | C11H14S3 |
| InChI | InChI=1S/C11H14S3/c1-4-13-11(12)14-10-6-5-8(2)9(3)7-10/h5-7H,4H2,1-3H3 |
| InChIKey | OZMFPCQBZVZEJE-UHFFFAOYSA-N |
| Molecular Weight | 242.413 g/mol |
| SMILES | C1=C(C=C(C(=C1)C)C)SC(SCC)=S |
| Spectrum/Structure Validation Score (Raman) | 0.80657 |