| SpectraBase Compound ID | HhD9UKp4l1e |
|---|---|
| InChI | InChI=1S/C13H20O2/c14-12(15)1-2-13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11H,1-8H2,(H,14,15)/t9-,10+,11-,13+ |
| InChIKey | MQLZRIWOJRILDI-UPFUWZEBSA-N |
| Mol Weight | 208.3 g/mol |
| Molecular Formula | C13H20O2 |
| Exact Mass | 208.14633 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Kxh9xy0XUkG |
|---|---|
| Name | 3-(Adamantan-1-yl)propanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 208.146329882 u |
| Formula | C13H20O2 |
| InChI | InChI=1S/C13H20O2/c14-12(15)1-2-13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11H,1-8H2,(H,14,15)/t9-,10+,11-,13+ |
| InChIKey | MQLZRIWOJRILDI-UPFUWZEBSA-N |
| Molecular Weight | 208.301 g/mol |
| SMILES | [C@]12(C[C@@]3(C[C@](C2)(CC(C1)(CCC(O)=O)C3)[H])[H])[H] |