| SpectraBase Compound ID | IesJHqGAlIP |
|---|---|
| InChI | InChI=1S/C13H16O2S/c1-3-4-5-6-11-16(14,15)13-9-7-12(2)8-10-13/h7-10H,3-5H2,1-2H3 |
| InChIKey | FZPYVZHBXVIRPF-UHFFFAOYSA-N |
| Mol Weight | 236.33 g/mol |
| Molecular Formula | C13H16O2S |
| Exact Mass | 236.087101 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 95XifugWvt4 |
|---|---|
| Name | 1-Hex-1-ynylsulfonyl-4-methyl-benzene |
| CAS Registry Number | 108895-67-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H16O2S |
| InChI | InChI=1S/C13H16O2S/c1-3-4-5-6-11-16(14,15)13-9-7-12(2)8-10-13/h7-10H,3-5H2,1-2H3 |
| InChIKey | FZPYVZHBXVIRPF-UHFFFAOYSA-N |
| Molecular Weight | 236.329 g/mol |
| SMILES | C(S(c1ccc(cc1)C)(=O)=O)#CCCCC |
| SPLASH | splash10-000l-5930000000-0a12f6430ec70d636a72 |
| Source of Spectrum | J-52-4268-15 |
| Wiley ID | 1237968 |