| SpectraBase Compound ID | 3tveUCJXZJA |
|---|---|
| InChI | InChI=1S/C21H28O4/c1-12-6-5-7-17-20(12,3)9-8-13(2)21(17,4)11-14-18(24)15(22)10-16(23)19(14)25/h6,10,13,17,22,25H,5,7-9,11H2,1-4H3/t13-,17+,20+,21+/m0/s1 |
| InChIKey | VANVRUQTXGDQDJ-NUATZEMDSA-N |
| Mol Weight | 344.45 g/mol |
| Molecular Formula | C21H28O4 |
| Exact Mass | 344.198759 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | DNZdZlPi7DL |
|---|---|
| Name | AVARONE-B |
| Compound Number | 3 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C21H28O4 |
| InChI | InChI=1S/C21H28O4/c1-12-6-5-7-17-20(12,3)9-8-13(2)21(17,4)11-14-18(24)15(22)10-16(23)19(14)25/h6,10,13,17,22,25H,5,7-9,11H2,1-4H3/t13-,17+,20+,21+/m0/s1 |
| InChIKey | VANVRUQTXGDQDJ-NUATZEMDSA-N |
| Literature Reference Author | M.STEWART,P.M.FELL,J.W.BLUNT,M.H.G.MUNRO |
| Literature Reference Citation | AUSTR.J.CHEM.,50,341(1997) |
| Literature Reference DOI | 10.1071/C96120 |
| Molecular Weight | 344.451 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWCS15588 |