| SpectraBase Compound ID | AAeHAaT576F |
|---|---|
| InChI | InChI=1S/C20H32O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,14-16H,1,6-13H2,2-4H3,(H,21,22) |
| InChIKey | KAPNQJLVMXTMRE-UHFFFAOYSA-N |
| Mol Weight | 304.5 g/mol |
| Molecular Formula | C20H32O2 |
| Exact Mass | 304.24023 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1GzfwdZWfM8 |
|---|---|
| Name | Dihydropimaric acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 304.240230268 u |
| Formula | C20H32O2 |
| InChI | InChI=1S/C20H32O2/c1-5-18(2)12-9-15-14(13-18)7-8-16-19(15,3)10-6-11-20(16,4)17(21)22/h5,14-16H,1,6-13H2,2-4H3,(H,21,22) |
| InChIKey | KAPNQJLVMXTMRE-UHFFFAOYSA-N |
| Molecular Weight | 304.474 g/mol |
| SMILES | C12(C(C(C(=O)O)(C)CCC2)CCC2C1CCC(C2)(C=C)C)C |