| SpectraBase Compound ID | CRGWfAZoFX6 |
|---|---|
| InChI | InChI=1S/C23H30O4/c1-2-3-6-9-26-22(24)19-7-4-5-8-20(19)23(25)27-21-17-11-15-10-16(13-17)14-18(21)12-15/h4-5,7-8,15-18,21H,2-3,6,9-14H2,1H3/t15-,16+,17-,18+,21- |
| InChIKey | NUEPNXCGVHBOJC-ASOPQSNTSA-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 | 1PyukGzh4J6 |
|---|---|
| Name | Phthalic acid, 2-adamantyl 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/c1-2-3-6-9-26-22(24)19-7-4-5-8-20(19)23(25)27-21-17-11-15-10-16(13-17)14-18(21)12-15/h4-5,7-8,15-18,21H,2-3,6,9-14H2,1H3/t15-,16+,17-,18+,21- |
| InChIKey | NUEPNXCGVHBOJC-ASOPQSNTSA-N |
| Molecular Weight | 370.489 g/mol |
| SMILES | CCCCCOC(C1=C(C(OC2[C@]3(C[C@]4(C[C@@]2(C[C@@](C3)(C4)[H])[H])[H])[H])=O)C=CC=C1)=O |