| SpectraBase Compound ID | 2BEOT9PtftV |
|---|---|
| InChI | InChI=1S/C13H18O3S/c1-2-3-5-8-12(14)11-17(15,16)13-9-6-4-7-10-13/h4,6-7,9-10H,2-3,5,8,11H2,1H3 |
| InChIKey | XKAJICXKMBZPJA-UHFFFAOYSA-N |
| Mol Weight | 254.34 g/mol |
| Molecular Formula | C13H18O3S |
| Exact Mass | 254.097666 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | D6vOmNPueen |
|---|---|
| Name | 1-(Phenylsulfonyl)heptan-2-one |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H18O3S |
| InChI | InChI=1S/C13H18O3S/c1-2-3-5-8-12(14)11-17(15,16)13-9-6-4-7-10-13/h4,6-7,9-10H,2-3,5,8,11H2,1H3 |
| InChIKey | XKAJICXKMBZPJA-UHFFFAOYSA-N |
| Molecular Weight | 254.344 g/mol |
| SMILES | C(S(=O)(=O)c1ccccc1)C(=O)CCCCC |
| SPLASH | splash10-004j-8900000000-0b993e1486afad9901a7 |
| Source of Spectrum | B-31-1975-0 |
| Wiley ID | 1257473 |