| SpectraBase Compound ID | BfdC935e14o |
|---|---|
| InChI | InChI=1S/C21H30O3/c1-13-14-6-7-18-20(2,9-5-10-21(18,3)19(22)23-4)16(14)12-17-15(13)8-11-24-17/h8,11,13-14,16,18H,5-7,9-10,12H2,1-4H3/t13-,14+,16+,18-,20-,21-/m1/s1 |
| InChIKey | CKWZZMAZBSXPHZ-RWSULFPFSA-N |
| Mol Weight | 330.47 g/mol |
| Molecular Formula | C21H30O3 |
| Exact Mass | 330.219495 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BfCgtMNIYlT |
|---|---|
| Name | METHYL-VINHATICOIC-ACID |
| Compound Number | 3A |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H30O3 |
| InChI | InChI=1S/C21H30O3/c1-13-14-6-7-18-20(2,9-5-10-21(18,3)19(22)23-4)16(14)12-17-15(13)8-11-24-17/h8,11,13-14,16,18H,5-7,9-10,12H2,1-4H3/t13-,14+,16+,18-,20-,21-/m1/s1 |
| InChIKey | CKWZZMAZBSXPHZ-RWSULFPFSA-N |
| Literature Reference Author | G.M.V.JUNIOR,H.R.SILVA,T.C.BITTENCOURT,M.H.CHAVES,C.A.DESIMO NE |
| Literature Reference Citation | QUIM.NOVA,30,1658(2007) |
| Literature Reference DOI | 10.1590/s0100-40422007000700030 |
| Molecular Weight | 330.467 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWBT12147 |