| SpectraBase Compound ID | LaeVLgDt8hQ |
|---|---|
| InChI | InChI=1S/C13H16O2/c14-12(15)1-2-13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11H,3-8H2,(H,14,15)/t9-,10+,11-,13+ |
| InChIKey | NLHRGHCCCHUIHM-UPFUWZEBSA-N |
| Mol Weight | 204.27 g/mol |
| Molecular Formula | C13H16O2 |
| Exact Mass | 204.11503 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7XIIoddeLGm |
|---|---|
| Name | 3-(1-Adamantyl)-2-propynoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 204.115029753 u |
| Formula | C13H16O2 |
| InChI | InChI=1S/C13H16O2/c14-12(15)1-2-13-6-9-3-10(7-13)5-11(4-9)8-13/h9-11H,3-8H2,(H,14,15)/t9-,10+,11-,13+ |
| InChIKey | NLHRGHCCCHUIHM-UPFUWZEBSA-N |
| Molecular Weight | 204.269 g/mol |
| SMILES | OC(C#CC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])=O |