| SpectraBase Compound ID | 8dQ0f84Au8l |
|---|---|
| InChI | InChI=1S/C17H22BrClO3/c1-3-7-14-8-4-5-10-16(19)17(22-14)12-15(9-6-11-18)21-13(2)20/h3-5,7,9,11,14-17H,8,10,12H2,1-2H3/b5-4-,7-3+/t6?,14-,15-,16+,17+/m0/s1 |
| InChIKey | BUAQGGUCIOVTOG-RWVYZSKESA-N |
| Mol Weight | 389.72 g/mol |
| Molecular Formula | C17H22BrClO3 |
| Exact Mass | 388.044085 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5UiYuB7hWPx |
|---|---|
| Name | (+)-4-ACETOXYMARILZALLENE |
| Compound Number | 5 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C17H22BrClO3 |
| InChI | InChI=1S/C17H22BrClO3/c1-3-7-14-8-4-5-10-16(19)17(22-14)12-15(9-6-11-18)21-13(2)20/h3-5,7,9,11,14-17H,8,10,12H2,1-2H3/b5-4-,7-3+/t6?,14-,15-,16+,17+/m0/s1 |
| InChIKey | BUAQGGUCIOVTOG-RWVYZSKESA-N |
| Literature Reference Author | A.GUTIERREZ-CEPEDA,J.J.FERNANDEZ,L.V.GIL,M.LOPEZ-RODRIGUEZ,M .NORTE,M.L.SOUTO |
| Literature Reference Citation | J.NAT.PROD.,74,441(2011) |
| Literature Reference DOI | 10.1021/np100866g |
| Molecular Weight | 389.717 g/mol |
| Sample ID | 37478 |
| Solvent | CDCl3 |