| SpectraBase Compound ID | 2z2QDvQZalY |
|---|---|
| InChI | InChI=1S/C14H11ClO2S/c15-8-10(16)9-5-6-12-14(7-9)18-13-4-2-1-3-11(13)17-12/h1-7,10,16H,8H2 |
| InChIKey | FVGSYIKPBVTPNL-UHFFFAOYSA-N |
| Mol Weight | 278.75 g/mol |
| Molecular Formula | C14H11ClO2S |
| Exact Mass | 278.016828 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | iaiHQ4CyqB |
|---|---|
| Name | .alpha.-Chloromethyl-2-phenoxathiinmethanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 278.016828466 u |
| Formula | C14H11ClO2S |
| InChI | InChI=1S/C14H11ClO2S/c15-8-10(16)9-5-6-12-14(7-9)18-13-4-2-1-3-11(13)17-12/h1-7,10,16H,8H2 |
| InChIKey | FVGSYIKPBVTPNL-UHFFFAOYSA-N |
| SMILES | C(Cl)C(O)C1=CC=C2C(=C1)SC1=C(O2)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.863429 |