| SpectraBase Compound ID | 3ed43PoA6sU |
|---|---|
| InChI | InChI=1S/C9H12S/c1-3-10-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3 |
| InChIKey | KFPMHOVKEZMQKA-UHFFFAOYSA-N |
| Mol Weight | 152.25 g/mol |
| Molecular Formula | C9H12S |
| Exact Mass | 152.065972 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JztjjYPFMSj |
|---|---|
| Name | Benzene, 1-(ethylthio)-2-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 152.065971560 u |
| Formula | C9H12S |
| InChI | InChI=1S/C9H12S/c1-3-10-9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3 |
| InChIKey | KFPMHOVKEZMQKA-UHFFFAOYSA-N |
| Molecular Weight | 152.255 g/mol |
| SMILES | C(SC1=C(C)C=CC=C1)C |