| SpectraBase Compound ID | 5TtZ4TlNDx2 |
|---|---|
| InChI | InChI=1S/C12H17ClOS/c1-3-10(2)15(14)9-12-6-4-11(8-13)5-7-12/h4-7,10H,3,8-9H2,1-2H3 |
| InChIKey | IAIIWLRDYUYEEY-UHFFFAOYSA-N |
| Mol Weight | 244.78 g/mol |
| Molecular Formula | C12H17ClOS |
| Exact Mass | 244.068864 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7IdhtYK6jLZ |
|---|---|
| Name | Signalset-#1 |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 244.068864040 u |
| Formula | C12H17ClOS |
| InChI | InChI=1S/C12H17ClOS/c1-3-10(2)15(14)9-12-6-4-11(8-13)5-7-12/h4-7,10H,3,8-9H2,1-2H3 |
| InChIKey | IAIIWLRDYUYEEY-UHFFFAOYSA-N |
| Molecular Weight | 244.780 g/mol |
| SMILES | C(Cl)C1=CC=C(C=C1)CS(=O)C(C)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.897388 |