| SpectraBase Compound ID | Hh0NsBSYMaS |
|---|---|
| InChI | InChI=1S/C19H21NO2/c20-11-13-1-3-17(4-2-13)18(21)22-12-19-8-14-5-15(9-19)7-16(6-14)10-19/h1-4,14-16H,5-10,12H2/t14-,15+,16-,19- |
| InChIKey | YCAOTPGYMYJDPX-HGYGSNGRSA-N |
| Mol Weight | 295.38 g/mol |
| Molecular Formula | C19H21NO2 |
| Exact Mass | 295.157229 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4pEHElvyJWF |
|---|---|
| Name | 4-Cyanobenzoic acid, 1-adamantylmethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 295.157228918 u |
| Formula | C19H21NO2 |
| InChI | InChI=1S/C19H21NO2/c20-11-13-1-3-17(4-2-13)18(21)22-12-19-8-14-5-15(9-19)7-16(6-14)10-19/h1-4,14-16H,5-10,12H2/t14-,15+,16-,19- |
| InChIKey | YCAOTPGYMYJDPX-HGYGSNGRSA-N |
| SMILES | C(OCC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])(=O)C=1C=CC(C#N)=CC1 |