| SpectraBase Compound ID | 9aOPsBMexi5 |
|---|---|
| InChI | InChI=1S/C13H20O3/c1-15-7-12(14)16-13-10-3-8-2-9(5-10)6-11(13)4-8/h8-11,13H,2-7H2,1H3/t8-,9+,10-,11+,13- |
| InChIKey | UPGYLWSGUPBHLN-IOUVMBHFSA-N |
| Mol Weight | 224.3 g/mol |
| Molecular Formula | C13H20O3 |
| Exact Mass | 224.141245 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AYeIAz1KPMe |
|---|---|
| Name | Methoxyacetic acid, 2-adamantyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.141244501 u |
| Formula | C13H20O3 |
| InChI | InChI=1S/C13H20O3/c1-15-7-12(14)16-13-10-3-8-2-9(5-10)6-11(13)4-8/h8-11,13H,2-7H2,1H3/t8-,9+,10-,11+,13- |
| InChIKey | UPGYLWSGUPBHLN-IOUVMBHFSA-N |
| Molecular Weight | 224.300 g/mol |
| SMILES | [C@]12(C[C@@]3(C[C@](C2OC(=O)COC)(C[C@](C1)(C3)[H])[H])[H])[H] |