| SpectraBase Compound ID | Jz5mkTEQoc |
|---|---|
| InChI | InChI=1S/C9H10OS/c1-2-4-9(5-3-1)11-7-8-6-10-8/h1-5,8H,6-7H2 |
| InChIKey | MYBWNWNBXBBZKW-UHFFFAOYSA-N |
| Mol Weight | 166.24 g/mol |
| Molecular Formula | C9H10OS |
| Exact Mass | 166.045236 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | F4UHBfVNBRK |
|---|---|
| Name | 2-[(Phenylsulfanyl)methyl]oxirane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.045236115 u |
| Formula | C9H10OS |
| InChI | InChI=1S/C9H10OS/c1-2-4-9(5-3-1)11-7-8-6-10-8/h1-5,8H,6-7H2 |
| InChIKey | MYBWNWNBXBBZKW-UHFFFAOYSA-N |
| Molecular Weight | 166.238 g/mol |
| SMILES | C1(OC1)CSC1=CC=CC=C1 |