| SpectraBase Compound ID | IqPCkVV4JOQ |
|---|---|
| InChI | InChI=1S/C9H12OS/c1-7-6-8(11-3)4-5-9(7)10-2/h4-6H,1-3H3 |
| InChIKey | AIWIJSFUUKMEIC-UHFFFAOYSA-N |
| Mol Weight | 168.25 g/mol |
| Molecular Formula | C9H12OS |
| Exact Mass | 168.060886 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 2BFUpEujBWG |
|---|---|
| Name | 1-Methoxy-2-methyl-4-methylsulfanylbenzene |
| 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/c1-7-6-8(11-3)4-5-9(7)10-2/h4-6H,1-3H3 |
| InChIKey | AIWIJSFUUKMEIC-UHFFFAOYSA-N |
| Molecular Weight | 168.254 g/mol |
| SMILES | C=1(OC)C(=CC(=CC1)SC)C |
| Spectrum/Structure Validation Score (Raman) | 0.956368 |