| SpectraBase Compound ID | Hvj2aIoQDei |
|---|---|
| InChI | InChI=1S/C12H14O2S/c1-3-4-5-10-15(13,14)12-8-6-11(2)7-9-12/h6-9H,3-4H2,1-2H3 |
| InChIKey | XLQSWZUSSBEYPE-UHFFFAOYSA-N |
| Mol Weight | 222.3 g/mol |
| Molecular Formula | C12H14O2S |
| Exact Mass | 222.071451 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | SzQ9uKcgRV |
|---|---|
| Name | 1-Methyl-4-pent-1-ynylsulfonyl-benzene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H14O2S |
| InChI | InChI=1S/C12H14O2S/c1-3-4-5-10-15(13,14)12-8-6-11(2)7-9-12/h6-9H,3-4H2,1-2H3 |
| InChIKey | XLQSWZUSSBEYPE-UHFFFAOYSA-N |
| Molecular Weight | 222.302 g/mol |
| SMILES | C(S(c1ccc(cc1)C)(=O)=O)#CCCC |
| SPLASH | splash10-05g3-4940000000-4686ddb50a6656ed2f6a |
| Source of Spectrum | J-63-6570-4 |
| Wiley ID | 1222160 |