SpectraBase Compound ID | 7K5w0ZUzsNS |
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InChI | InChI=1S/C13H16O3S/c1-3-11(2)9-12(14)10-17(15,16)13-7-5-4-6-8-13/h3-8,11H,1,9-10H2,2H3 |
InChIKey | AYAKYCZKTONIBL-UHFFFAOYSA-N |
Mol Weight | 252.33 g/mol |
Molecular Formula | C13H16O3S |
Exact Mass | 252.082016 g/mol |
SpectraBase Spectrum ID | 5LgbRPshVaD |
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Name | 4-Methyl-1-(phenylsulfonyl)-5-hexen-2-one |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 252.082015546 u |
Formula | C13H16O3S |
InChI | InChI=1S/C13H16O3S/c1-3-11(2)9-12(14)10-17(15,16)13-7-5-4-6-8-13/h3-8,11H,1,9-10H2,2H3 |
InChIKey | AYAKYCZKTONIBL-UHFFFAOYSA-N |
Molecular Weight | 252.328 g/mol |
SMILES | C(S(=O)(=O)C=1C=CC=CC1)C(=O)CC(C=C)C |