| SpectraBase Compound ID | FcWnLMCgxqY |
|---|---|
| InChI | InChI=1S/C23H30O4/c1-3-6-14(2)26-22(24)19-7-4-5-8-20(19)23(25)27-21-17-10-15-9-16(12-17)13-18(21)11-15/h4-5,7-8,14-18,21H,3,6,9-13H2,1-2H3/t14?,15-,16+,17-,18+,21? |
| InChIKey | XVZIOHGGOUEQGK-ONOULXLCSA-N |
| Mol Weight | 370.49 g/mol |
| Molecular Formula | C23H30O4 |
| Exact Mass | 370.214409 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7itM7OTb4qd |
|---|---|
| Name | Phthalic acid, 2-adamantyl 2-pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 370.214409442 u |
| Formula | C23H30O4 |
| InChI | InChI=1S/C23H30O4/c1-3-6-14(2)26-22(24)19-7-4-5-8-20(19)23(25)27-21-17-10-15-9-16(12-17)13-18(21)11-15/h4-5,7-8,14-18,21H,3,6,9-13H2,1-2H3/t14?,15-,16+,17-,18+,21? |
| InChIKey | XVZIOHGGOUEQGK-ONOULXLCSA-N |
| Molecular Weight | 370.489 g/mol |
| SMILES | C1(=C(C=CC=C1)C(OC(C)CCC)=O)C(OC1[C@]2(C[C@]3(C[C@@]1(C[C@@](C2)(C3)[H])[H])[H])[H])=O |