| SpectraBase Compound ID | KcVGXGCtOug |
|---|---|
| InChI | InChI=1S/C21H26O3/c1-23-19-7-5-14(6-8-19)3-2-4-20(22)24-21-17-10-15-9-16(12-17)13-18(21)11-15/h2,4-8,15-18,21H,3,9-13H2,1H3/b4-2+/t15-,16+,17-,18+,21- |
| InChIKey | PWFDDUVJYQAQSV-XPXQCDDASA-N |
| Mol Weight | 326.44 g/mol |
| Molecular Formula | C21H26O3 |
| Exact Mass | 326.188195 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KVWxPzn1lNB |
|---|---|
| Name | (E)-2-Adamantyl 4-(4-methoxyphenyl)-2-butenoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.188194694 u |
| Formula | C21H26O3 |
| InChI | InChI=1S/C21H26O3/c1-23-19-7-5-14(6-8-19)3-2-4-20(22)24-21-17-10-15-9-16(12-17)13-18(21)11-15/h2,4-8,15-18,21H,3,9-13H2,1H3/b4-2+/t15-,16+,17-,18+,21- |
| InChIKey | PWFDDUVJYQAQSV-XPXQCDDASA-N |
| Molecular Weight | 326.436 g/mol |
| SMILES | C1[C@]2(C[C@]3(C([C@@]1(C[C@](C3)(C2)[H])[H])OC(\C=C\CC1=CC=C(C=C1)OC)=O)[H])[H] |