| SpectraBase Compound ID | FtDa2noShuv |
|---|---|
| InChI | InChI=1S/C27H31BrO5/c1-17-14-22(33-25(29)20-5-7-21(28)8-6-20)15-24-23(17)9-4-18(2)27(24,26(30)31-3)12-10-19-11-13-32-16-19/h5-8,11,13-14,16,18,22-24H,4,9-10,12,15H2,1-3H3/t18-,22+,23-,24+,27-/m1/s1 |
| InChIKey | XAIAXXMNJKBOLJ-MPZKMFECSA-N |
| Mol Weight | 515.44 g/mol |
| Molecular Formula | C27H31BrO5 |
| Exact Mass | 514.135487 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5ITVq14DwG |
|---|---|
| Name | 2-(p-Bromobenzoyloxy)cajucarin B |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H31BrO5 |
| InChI | InChI=1S/C27H31BrO5/c1-17-14-22(33-25(29)20-5-7-21(28)8-6-20)15-24-23(17)9-4-18(2)27(24,26(30)31-3)12-10-19-11-13-32-16-19/h5-8,11,13-14,16,18,22-24H,4,9-10,12,15H2,1-3H3/t18-,22+,23-,24+,27-/m1/s1 |
| InChIKey | XAIAXXMNJKBOLJ-MPZKMFECSA-N |
| Molecular Weight | 515.444 g/mol |
| SMILES | [C@]1([C@@]2([C@](C(C)=C[C@@](C2)(OC(c2ccc(cc2)Br)=O)[H])([H])CC[C@]1(C)[H])[H])(C(=O)OC)CCc1cocc1 |
| SPLASH | splash10-053r-0900000000-a29671dad17889990013 |
| Source of Spectrum | E1-38-704-7 |
| Wiley ID | 1518196 |