| SpectraBase Compound ID | FdLHr4Tuf0Y |
|---|---|
| InChI | InChI=1S/C27H35BrO2/c1-6-26(4)14-15-27(5)19(17-26)10-11-21-22(27)12-13-23(25(21,2)3)30-24(29)18-8-7-9-20(28)16-18/h6-9,12,16,19,21,23H,1,10-11,13-15,17H2,2-5H3/t19?,21-,23+,26-,27-/m0/s1 |
| InChIKey | YKYDPTGBOOYPCN-QMUMOJJGSA-N |
| Mol Weight | 471.5 g/mol |
| Molecular Formula | C27H35BrO2 |
| Exact Mass | 470.182043 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GWIF9pGeEny |
|---|---|
| Name | (3R)-ent-1(10),15-Rosadien-3-yl m-Bromobenzoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C27H35BrO2 |
| InChI | InChI=1S/C27H35BrO2/c1-6-26(4)14-15-27(5)19(17-26)10-11-21-22(27)12-13-23(25(21,2)3)30-24(29)18-8-7-9-20(28)16-18/h6-9,12,16,19,21,23H,1,10-11,13-15,17H2,2-5H3/t19?,21-,23+,26-,27-/m0/s1 |
| InChIKey | YKYDPTGBOOYPCN-QMUMOJJGSA-N |
| Molecular Weight | 471.479 g/mol |
| SMILES | C1=2[C@@]3(C(C[C@](CC3)(C=C)C)CC[C@@]1(C([C@](OC(c1cc(Br)ccc1)=O)(CC2)[H])(C)C)[H])C |
| SPLASH | splash10-05fr-1960000000-b643fbcc4473bed4602a |
| Source of Spectrum | E2-52-560-14 |
| Wiley ID | 1556480 |