| SpectraBase Compound ID | CikDpStCPbY |
|---|---|
| InChI | InChI=1S/C20H26O2/c1-14-3-2-4-18(7-14)19(21)22-6-5-20-11-15-8-16(12-20)10-17(9-15)13-20/h2-4,7,15-17H,5-6,8-13H2,1H3/t15-,16+,17-,20+ |
| InChIKey | QXDLZKOHACFPPP-FRIOTGHOSA-N |
| Mol Weight | 298.43 g/mol |
| Molecular Formula | C20H26O2 |
| Exact Mass | 298.19328 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IXBL13M8o0a |
|---|---|
| Name | m-Toluic acid, 2-(1-adamantyl)ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.193280075 u |
| Formula | C20H26O2 |
| InChI | InChI=1S/C20H26O2/c1-14-3-2-4-18(7-14)19(21)22-6-5-20-11-15-8-16(12-20)10-17(9-15)13-20/h2-4,7,15-17H,5-6,8-13H2,1H3/t15-,16+,17-,20+ |
| InChIKey | QXDLZKOHACFPPP-FRIOTGHOSA-N |
| SMILES | C(OCCC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])(=O)C1=CC(C)=CC=C1 |