| SpectraBase Compound ID | IPRifv7aQdB |
|---|---|
| InChI | InChI=1S/C14H24O2/c1-16-14(15)9-7-11-6-8-12-4-2-3-5-13(12)10-11/h11-13H,2-10H2,1H3 |
| InChIKey | HBIVNBSVKFIJAD-UHFFFAOYSA-N |
| Mol Weight | 224.34 g/mol |
| Molecular Formula | C14H24O2 |
| Exact Mass | 224.17763 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JnyojNB7DCi |
|---|---|
| Name | Decalin-2-propanoic acid methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 224.177630011 u |
| Formula | C14H24O2 |
| InChI | InChI=1S/C14H24O2/c1-16-14(15)9-7-11-6-8-12-4-2-3-5-13(12)10-11/h11-13H,2-10H2,1H3 |
| InChIKey | HBIVNBSVKFIJAD-UHFFFAOYSA-N |
| Molecular Weight | 224.344 g/mol |
| SMILES | C1C(CCC2CCCCC12)CCC(=O)OC |