| SpectraBase Compound ID | JNc2T0nv6wM |
|---|---|
| InChI | InChI=1S/C11H16S2/c1-3-12-11(13-4-2)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3 |
| InChIKey | AIIGUIULOLNNLJ-UHFFFAOYSA-N |
| Mol Weight | 212.37 g/mol |
| Molecular Formula | C11H16S2 |
| Exact Mass | 212.069343 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | L1lLcEOl8yj |
|---|---|
| Name | Benzaldehyde, diethyl mercaptal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 212.069342863 u |
| Formula | C11H16S2 |
| InChI | InChI=1S/C11H16S2/c1-3-12-11(13-4-2)10-8-6-5-7-9-10/h5-9,11H,3-4H2,1-2H3 |
| InChIKey | AIIGUIULOLNNLJ-UHFFFAOYSA-N |
| Molecular Weight | 212.369 g/mol |
| SMILES | C=1C(=CC=CC1)C(SCC)SCC |
| Spectrum/Structure Validation Score (Raman) | 0.9842 |