| SpectraBase Compound ID | EH8OenEKSSL |
|---|---|
| InChI | InChI=1S/C19H24O3/c1-21-17-4-2-16(3-5-17)18(20)22-12-19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,13-15H,6-12H2,1H3/t13-,14+,15-,19- |
| InChIKey | DIZBFYXKMGKOFJ-CSVIQDERSA-N |
| Mol Weight | 300.4 g/mol |
| Molecular Formula | C19H24O3 |
| Exact Mass | 300.172545 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | A9yhwvLAL9c |
|---|---|
| Name | p-Anisic acid, 1-adamantylmethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 300.172544630 u |
| Formula | C19H24O3 |
| InChI | InChI=1S/C19H24O3/c1-21-17-4-2-16(3-5-17)18(20)22-12-19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,13-15H,6-12H2,1H3/t13-,14+,15-,19- |
| InChIKey | DIZBFYXKMGKOFJ-CSVIQDERSA-N |
| SMILES | C(OCC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])(=O)C1=CC=C(OC)C=C1 |