| SpectraBase Compound ID | AVlFFsW5ot8 |
|---|---|
| InChI | InChI=1S/C14H18O2S/c1-3-4-5-6-7-12-17(15,16)14-10-8-13(2)9-11-14/h8-11H,3-6H2,1-2H3 |
| InChIKey | CVAGTOGITKNWBR-UHFFFAOYSA-N |
| Mol Weight | 250.36 g/mol |
| Molecular Formula | C14H18O2S |
| Exact Mass | 250.102751 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | KSDcXNQketc |
|---|---|
| Name | 1-Hept-1-ynylsulfonyl-4-methyl-benzene |
| Copyright | Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C14H18O2S |
| InChI | InChI=1S/C14H18O2S/c1-3-4-5-6-7-12-17(15,16)14-10-8-13(2)9-11-14/h8-11H,3-6H2,1-2H3 |
| InChIKey | CVAGTOGITKNWBR-UHFFFAOYSA-N |
| Molecular Weight | 250.356 g/mol |
| SMILES | C(#CCCCCC)S(=O)(=O)c1ccc(cc1)C |
| SPLASH | splash10-000g-9200000000-49081d5e554a6271e0d1 |
| Source of Spectrum | J-65-4549-1 |
| Wiley ID | 1532736 |