| SpectraBase Compound ID | 7SQiIok1X7 |
|---|---|
| InChI | InChI=1S/C9H12OS/c1-6-4-8(11-3)5-7(2)9(6)10/h4-5,10H,1-3H3 |
| InChIKey | MGOOYXDTXUPBTC-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 | L9IyyielRjW |
|---|---|
| Name | 4-(Methylthio)-2,6-xylenol |
| 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/c1-6-4-8(11-3)5-7(2)9(6)10/h4-5,10H,1-3H3 |
| InChIKey | MGOOYXDTXUPBTC-UHFFFAOYSA-N |
| Molecular Weight | 168.254 g/mol |
| SMILES | OC=1C(C)=CC(=CC1C)SC |
| Spectrum/Structure Validation Score (Raman) | 0.936947 |