![Benzene, 1-methyl-2-[(methylthio)methoxy]-](/api/spectrum/Bkv1swizmy6/structure.png?h=300&w=458 "Benzene, 1-methyl-2-[(methylthio)methoxy]-")
| SpectraBase Compound ID | FfK0QTrOHSu |
|---|---|
| InChI | InChI=1S/C9H12OS/c1-8-5-3-4-6-9(8)10-7-11-2/h3-6H,7H2,1-2H3 |
| InChIKey | SCFQXLALQFBVDI-UHFFFAOYSA-N |
| Mol Weight | 168.25 g/mol |
| Molecular Formula | C9H12OS |
| Exact Mass | 168.060886 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Bkv1swizmy6 |
|---|---|
| Name | Benzene, 1-methyl-2-[(methylthio)methoxy]- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 168.060886179 u |
| Formula | C9H12OS |
| InChI | InChI=1S/C9H12OS/c1-8-5-3-4-6-9(8)10-7-11-2/h3-6H,7H2,1-2H3 |
| InChIKey | SCFQXLALQFBVDI-UHFFFAOYSA-N |
| Molecular Weight | 168.254 g/mol |
| SMILES | C=1(C(C)=CC=CC1)OCSC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.963412 |