| SpectraBase Compound ID | INCziM0rjTp |
|---|---|
| InChI | InChI=1S/C15H19BrO3/c1-7-9-4-5-15(3)6-10(16)12(17)8(2)11(15)13(9)19-14(7)18/h7,9-10,13H,4-6H2,1-3H3/t7-,9+,10?,13-,15-/m1/s1 |
| InChIKey | QGDNWYCSQIXURE-HGXOCUIMSA-N |
| Mol Weight | 327.22 g/mol |
| Molecular Formula | C15H19BrO3 |
| Exact Mass | 326.051757 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AVm6d0bEXJ4 |
|---|---|
| Name | (2S)-4-Bromo-1,2-dehydro-6.beta.,10.alpha.,11.beta.-alpha.-santonin |
| Alternate Name(s) | (3R,3aS,5aR,9bR)-7-bromo-3,5a,9-trimethyl-3a,4,5,6,7,9b-hexahydro-3H-benzo[g][1]benzofuran-2,8-dione (3R,3aS,5aR,9bR)-7-bromo-3,5a,9-trimethyl-3a,4,5,6,7,9b-hexahydro-3H-benzo[g]benzofuran-2,8-dione (3R,3aS,5aR,9bR)-7-bromanyl-3,5a,9-trimethyl-3a,4,5,6,7,9b-hexahydro-3H-benzo[g][1]benzofuran-2,8-dione |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H19BrO3 |
| InChI | InChI=1S/C15H19BrO3/c1-7-9-4-5-15(3)6-10(16)12(17)8(2)11(15)13(9)19-14(7)18/h7,9-10,13H,4-6H2,1-3H3/t7-,9+,10?,13-,15-/m1/s1 |
| InChIKey | QGDNWYCSQIXURE-HGXOCUIMSA-N |
| Molecular Weight | 327.218 g/mol |
| SMILES | C12=C(C(=O)C(C[C@]2(CC[C@@]2([C@]1(OC(=O)[C@@]2(C)[H])[H])[H])C)Br)C |
| SPLASH | splash10-00kb-0091000000-e2f4e9ba1488f773c5c7 |
| Source of Spectrum | F-56-3413-14 |
| Wiley ID | 857026 |