| SpectraBase Compound ID | CNCS3e80Cm6 |
|---|---|
| InChI | InChI=1S/C13H12OS/c1-14-12-9-5-6-10-13(12)15-11-7-3-2-4-8-11/h2-10H,1H3 |
| InChIKey | PLMKPWXDMAOTPF-UHFFFAOYSA-N |
| Mol Weight | 216.3 g/mol |
| Molecular Formula | C13H12OS |
| Exact Mass | 216.060886 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | BfoxkqZuOdy |
|---|---|
| Name | 2-Methoxy-diphenylsulfide |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.060886179 u |
| Formula | C13H12OS |
| InChI | InChI=1S/C13H12OS/c1-14-12-9-5-6-10-13(12)15-11-7-3-2-4-8-11/h2-10H,1H3 |
| InChIKey | PLMKPWXDMAOTPF-UHFFFAOYSA-N |
| Molecular Weight | 216.298 g/mol |
| SMILES | C1(OC)=C(SC2=CC=CC=C2)C=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.824695 |