| SpectraBase Compound ID | L8WmLuB0uJK |
|---|---|
| InChI | InChI=1S/C15H24O3/c1-10(2)8-14(16)9-11(3)12-4-6-13(7-5-12)15(17)18/h6,10-12H,4-5,7-9H2,1-3H3,(H,17,18) |
| InChIKey | XPXCWUPURKUWHC-UHFFFAOYSA-N |
| Mol Weight | 252.35 g/mol |
| Molecular Formula | C15H24O3 |
| Exact Mass | 252.172545 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1EurPK0W28j |
|---|---|
| Name | Todomatuic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 252.172544630 u |
| Formula | C15H24O3 |
| InChI | InChI=1S/C15H24O3/c1-10(2)8-14(16)9-11(3)12-4-6-13(7-5-12)15(17)18/h6,10-12H,4-5,7-9H2,1-3H3,(H,17,18) |
| InChIKey | XPXCWUPURKUWHC-UHFFFAOYSA-N |
| Molecular Weight | 252.354 g/mol |
| SMILES | C1C(CC=C(C1)C(O)=O)C(C)CC(CC(C)C)=O |