| SpectraBase Compound ID | IcISIRujYkp |
|---|---|
| InChI | InChI=1S/C18H22O3/c1-20-16-4-2-3-13(10-16)18(19)21-17-14-6-11-5-12(8-14)9-15(17)7-11/h2-4,10-12,14-15,17H,5-9H2,1H3/t11-,12+,14-,15+,17? |
| InChIKey | RSTRVUVGKMYHEU-TZGCMVOWSA-N |
| Mol Weight | 286.37 g/mol |
| Molecular Formula | C18H22O3 |
| Exact Mass | 286.156895 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3fpCEhs7TFT |
|---|---|
| Name | m-Anisic acid, 2-adamantyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 286.156894565 u |
| Formula | C18H22O3 |
| InChI | InChI=1S/C18H22O3/c1-20-16-4-2-3-13(10-16)18(19)21-17-14-6-11-5-12(8-14)9-15(17)7-11/h2-4,10-12,14-15,17H,5-9H2,1H3/t11-,12+,14-,15+,17? |
| InChIKey | RSTRVUVGKMYHEU-TZGCMVOWSA-N |
| SMILES | C(OC1[C@]2(C[C@]3(C[C@@]1(C[C@@](C2)(C3)[H])[H])[H])[H])(=O)C1=CC=CC(OC)=C1 |