| SpectraBase Compound ID | 75tFesqPuIh |
|---|---|
| InChI | InChI=1S/C17H19ClO2/c18-14-3-1-2-4-15(14)20-16(19)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2/t11-,12+,13-,17- |
| InChIKey | ZLRQBHYRAFMETQ-FBBPANFNSA-N |
| Mol Weight | 290.79 g/mol |
| Molecular Formula | C17H19ClO2 |
| Exact Mass | 290.107358 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | C3XZLK5o4xR |
|---|---|
| Name | 1-Adamantanecarboxylic acid, 2-chlorophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 290.107357550 u |
| Formula | C17H19ClO2 |
| InChI | InChI=1S/C17H19ClO2/c18-14-3-1-2-4-15(14)20-16(19)17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2/t11-,12+,13-,17- |
| InChIKey | ZLRQBHYRAFMETQ-FBBPANFNSA-N |
| SMILES | C1(=CC=CC=C1Cl)OC(=O)C12C[C@]3(C[C@@](C2)(C[C@](C3)(C1)[H])[H])[H] |