| SpectraBase Compound ID | 22ZCWgOno0C |
|---|---|
| InChI | InChI=1S/C20H29BrO5/c1-19(17(21)10-22)7-6-12-11(9-19)16(25)8-13-14(23)4-3-5-15(24)18(26)20(12,13)2/h6,11,13,16-18,22,25-26H,3-5,7-10H2,1-2H3/t11-,13-,16-,17-,18-,19+,20+/m1/s1 |
| InChIKey | BXBRFJCICVSQSF-ZIFLMJRLSA-N |
| Mol Weight | 429.35 g/mol |
| Molecular Formula | C20H29BrO5 |
| Exact Mass | 428.119837 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8Jl3VU1AZyg |
|---|---|
| Name | NEOPARGUEROLDIONE |
| Compound Number | 1 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C20H29BrO5 |
| InChI | InChI=1S/C20H29BrO5/c1-19(17(21)10-22)7-6-12-11(9-19)16(25)8-13-14(23)4-3-5-15(24)18(26)20(12,13)2/h6,11,13,16-18,22,25-26H,3-5,7-10H2,1-2H3/t11-,13-,16-,17-,18-,19+,20+/m1/s1 |
| InChIKey | BXBRFJCICVSQSF-ZIFLMJRLSA-N |
| Literature Reference Author | J.A.FINDLAY,G.LI |
| Literature Reference Citation | CAN.J.CHEM.,80,1697(2002) |
| Literature Reference DOI | 10.1139/v02-189 |
| Molecular Weight | 429.351 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWMZ18949 |