| SpectraBase Compound ID | CCRjusvnrKL |
|---|---|
| InChI | InChI=1S/C24H28O6S2/c1-15-3-7-21(8-4-15)31(25,26)29-23-17-11-19-13-18(23)14-20(12-17)24(19)30-32(27,28)22-9-5-16(2)6-10-22/h3-10,17-20,23-24H,11-14H2,1-2H3/t17-,18+,19-,20+,23-,24-/m1/s1 |
| InChIKey | FLTIALSBTYRIDX-KTKRGNEMSA-N |
| Mol Weight | 476.6 g/mol |
| Molecular Formula | C24H28O6S2 |
| Exact Mass | 476.132731 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4aF5shlVdHn |
|---|---|
| Name | 4-Methylbenzenesulfonic acid (6-tosyloxy-2-adamantyl) ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 476.132730964 u |
| Formula | C24H28O6S2 |
| InChI | InChI=1S/C24H28O6S2/c1-15-3-7-21(8-4-15)31(25,26)29-23-17-11-19-13-18(23)14-20(12-17)24(19)30-32(27,28)22-9-5-16(2)6-10-22/h3-10,17-20,23-24H,11-14H2,1-2H3/t17-,18+,19-,20+,23-,24-/m1/s1 |
| InChIKey | FLTIALSBTYRIDX-KTKRGNEMSA-N |
| Molecular Weight | 476.602 g/mol |
| SMILES | C1(OS(C=2C=CC(=CC2)C)(=O)=O)[C@]2(C[C@@]3(C(OS(C4=CC=C(C=C4)C)(=O)=O)[C@@](C[C@]1(C3)[H])(C2)[H])[H])[H] |