| SpectraBase Compound ID | 3hi0iEGGl5O |
|---|---|
| InChI | InChI=1S/C18H19NO2/c19-11-12-1-3-16(4-2-12)21-17(20)18-8-13-5-14(9-18)7-15(6-13)10-18/h1-4,13-15H,5-10H2/t13-,14+,15-,18- |
| InChIKey | XCBOWRSWXPITOO-OVMOHIIOSA-N |
| Mol Weight | 281.36 g/mol |
| Molecular Formula | C18H19NO2 |
| Exact Mass | 281.141579 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 69PM8xGwin9 |
|---|---|
| Name | 1-Adamantanecarboxylic acid, 4-cyanophenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 281.141578854 u |
| Formula | C18H19NO2 |
| InChI | InChI=1S/C18H19NO2/c19-11-12-1-3-16(4-2-12)21-17(20)18-8-13-5-14(9-18)7-15(6-13)10-18/h1-4,13-15H,5-10H2/t13-,14+,15-,18- |
| InChIKey | XCBOWRSWXPITOO-OVMOHIIOSA-N |
| SMILES | C1[C@]2(C[C@]3(CC1(C[C@@](C2)(C3)[H])C(=O)OC=1C=CC(C#N)=CC1)[H])[H] |