| SpectraBase Compound ID | 8a5qbCpnYnZ |
|---|---|
| InChI | InChI=1S/C13H19ClO2S/c1-4-5-10-13(2,3)11-6-8-12(9-7-11)17(14,15)16/h6-9H,4-5,10H2,1-3H3 |
| InChIKey | GHEUMFYYCKYZNR-UHFFFAOYSA-N |
| Mol Weight | 274.81 g/mol |
| Molecular Formula | C13H19ClO2S |
| Exact Mass | 274.079429 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | IiPfzBYwrLN |
|---|---|
| Name | 4-(1,1-Dimethylpentyl)benzenesulfonyl Chloride |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H19ClO2S |
| InChI | InChI=1S/C13H19ClO2S/c1-4-5-10-13(2,3)11-6-8-12(9-7-11)17(14,15)16/h6-9H,4-5,10H2,1-3H3 |
| InChIKey | GHEUMFYYCKYZNR-UHFFFAOYSA-N |
| Molecular Weight | 274.806 g/mol |
| SMILES | c1(S(=O)(=O)Cl)ccc(C(CCCC)(C)C)cc1 |
| SPLASH | splash10-014i-0090000000-f422cc2c02d4d035f741 |
| Source of Spectrum | J-59-2747-11 |
| Wiley ID | 1277838 |