| SpectraBase Compound ID | Craya2HQifc |
|---|---|
| InChI | InChI=1S/C9H12O2S/c1-3-12(10,11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3 |
| InChIKey | XBZQMVYXYKDYPA-UHFFFAOYSA-N |
| Mol Weight | 184.25 g/mol |
| Molecular Formula | C9H12O2S |
| Exact Mass | 184.055801 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 1lY5qQqn8t2 |
|---|---|
| Name | 1-esyl-4-methyl-benzene |
| Alternate Name(s) | 1-Ethylsulfonyl-4-methyl-benzene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H12O2S |
| InChI | InChI=1S/C9H12O2S/c1-3-12(10,11)9-6-4-8(2)5-7-9/h4-7H,3H2,1-2H3 |
| InChIKey | XBZQMVYXYKDYPA-UHFFFAOYSA-N |
| Molecular Weight | 184.253 g/mol |
| SMILES | c1(S(=O)(=O)CC)ccc(cc1)C |
| SPLASH | splash10-0006-9400000000-2a697b816c48a94b678e |
| Source of Spectrum | KC-0-878-0 |
| Wiley ID | 824427 |