| SpectraBase Compound ID | DMwBxLVSoNO |
|---|---|
| InChI | InChI=1S/C19H24O4S2/c1-16-6-10-18(11-7-16)24(20,21)14-4-3-5-15-25(22,23)19-12-8-17(2)9-13-19/h6-13H,3-5,14-15H2,1-2H3 |
| InChIKey | FLRPDRMZRYBCJM-UHFFFAOYSA-N |
| Mol Weight | 380.52 g/mol |
| Molecular Formula | C19H24O4S2 |
| Exact Mass | 380.111602 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2KKYNwTEiD2 |
|---|---|
| Name | 1,5-bis(p-Tolylsulfonyl)pentane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 380.111601597 u |
| Formula | C19H24O4S2 |
| InChI | InChI=1S/C19H24O4S2/c1-16-6-10-18(11-7-16)24(20,21)14-4-3-5-15-25(22,23)19-12-8-17(2)9-13-19/h6-13H,3-5,14-15H2,1-2H3 |
| InChIKey | FLRPDRMZRYBCJM-UHFFFAOYSA-N |
| Molecular Weight | 380.517 g/mol |
| SMILES | c1(S(=O)(=O)CCCCCS(c2ccc(cc2)C)(=O)=O)ccc(cc1)C |