| SpectraBase Compound ID | JuyEnSR4EJC |
|---|---|
| InChI | InChI=1S/C12H15Cl3O2/c13-12(14,15)11(16)17-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-10H,1-5H2/t6-,7+,8-,9+,10- |
| InChIKey | KPUQOWHUHKJEAH-BIPATUIKSA-N |
| Mol Weight | 297.61 g/mol |
| Molecular Formula | C12H15Cl3O2 |
| Exact Mass | 296.013763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 81OzzFI5HB9 |
|---|---|
| Name | Trichloroacetic acid, 2-adamantyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.013762821 u |
| Formula | C12H15Cl3O2 |
| InChI | InChI=1S/C12H15Cl3O2/c13-12(14,15)11(16)17-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-10H,1-5H2/t6-,7+,8-,9+,10- |
| InChIKey | KPUQOWHUHKJEAH-BIPATUIKSA-N |
| Molecular Weight | 297.609 g/mol |
| SMILES | [C@]12(C[C@@]3(C[C@](C2OC(C(Cl)(Cl)Cl)=O)(C[C@](C1)(C3)[H])[H])[H])[H] |