| SpectraBase Compound ID | DvRiNcTb3It |
|---|---|
| InChI | InChI=1S/C19H24O3/c1-21-17-5-3-2-4-16(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 | BRIWTOGEIIJQTB-CSVIQDERSA-N |
| Mol Weight | 300.4 g/mol |
| Molecular Formula | C19H24O3 |
| Exact Mass | 300.172545 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I6SXqcEEKWW |
|---|---|
| Name | o-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/c1-21-17-5-3-2-4-16(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 | BRIWTOGEIIJQTB-CSVIQDERSA-N |
| SMILES | C12(C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])COC(C=1C(OC)=CC=CC1)=O |