| SpectraBase Compound ID | 4GFXeool8KO |
|---|---|
| InChI | InChI=1S/C14H21ClO2/c15-9-13(16)17-2-1-14-6-10-3-11(7-14)5-12(4-10)8-14/h10-12H,1-9H2/t10-,11+,12-,14+ |
| InChIKey | FFLCLAGBCHCEFK-CFKGFHPTSA-N |
| Mol Weight | 256.77 g/mol |
| Molecular Formula | C14H21ClO2 |
| Exact Mass | 256.123008 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | J6GRfRNGHcP |
|---|---|
| Name | Chloroacetic acid, 2-(1-adamantyl)ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 256.123007614 u |
| Formula | C14H21ClO2 |
| InChI | InChI=1S/C14H21ClO2/c15-9-13(16)17-2-1-14-6-10-3-11(7-14)5-12(4-10)8-14/h10-12H,1-9H2/t10-,11+,12-,14+ |
| InChIKey | FFLCLAGBCHCEFK-CFKGFHPTSA-N |
| Molecular Weight | 256.773 g/mol |
| SMILES | [C@]12(CC3(C[C@](C2)(C[C@](C1)(C3)[H])[H])CCOC(CCl)=O)[H] |