| SpectraBase Compound ID | 5qD9xUkmQcm |
|---|---|
| InChI | InChI=1S/C15H22O2/c1-9-4-6-12(8-11(3)15(16)17)14-10(2)5-7-13(9)14/h8-9,12-13H,4-7H2,1-3H3,(H,16,17)/b11-8+/t9-,12+,13-/m1/s1 |
| InChIKey | FEBNTWHYQKGEIQ-SUKRRCERSA-N |
| Mol Weight | 234.34 g/mol |
| Molecular Formula | C15H22O2 |
| Exact Mass | 234.16198 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 89826eTBPTV |
|---|---|
| Name | VALERENIC_ACID |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C15H22O2 |
| InChI | InChI=1S/C15H22O2/c1-9-4-6-12(8-11(3)15(16)17)14-10(2)5-7-13(9)14/h8-9,12-13H,4-7H2,1-3H3,(H,16,17)/b11-8+/t9-,12+,13-/m1/s1 |
| InChIKey | FEBNTWHYQKGEIQ-SUKRRCERSA-N |
| Literature Reference Author | H.DHARMARATNE,N.NANAYAKKARA,I.KHAN |
| Literature Reference Citation | PLANTA.MED.,68,661(2002) |
| Literature Reference DOI | 10.1055/s-2002-32909 |
| Molecular Weight | 234.338 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UIAP1797 |