| SpectraBase Spectrum ID |
1SX12ctwVUI |
| Name |
(1RS,4RS,5SR,7RS)-7-Bromo-5-phenyl-2-oxabicyclo[2.2.2]octane-3-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H13BrO2 |
| InChI |
InChI=1S/C13H13BrO2/c14-11-6-10-9(7-12(11)16-13(10)15)8-4-2-1-3-5-8/h1-5,9-12H,6-7H2/t9?,10-,11+,12-/m0/s1 |
| InChIKey |
XIYFYUOTCSFCTL-YATPEIPISA-N |
| Molecular Weight |
281.149 g/mol |
| SMILES |
[C@]12(OC([C@](C(C2)c2ccccc2)(C[C@]1(Br)[H])[H])=O)[H] |
| SPLASH |
splash10-0ue9-0980000000-97f72e74a84f35f44380 |
| Source of Spectrum |
KC-0-850-23 |
| Synonyms |
7-bromo-5-phenyl-2-oxabicyclo[2.2.2]octan-3-one |
| Wiley ID |
780926 |
![(1RS,4RS,5SR,7RS)-7-Bromo-5-phenyl-2-oxabicyclo[2.2.2]octane-3-one](/api/spectrum/1SX12ctwVUI/structure.png?h=300&w=458 "(1RS,4RS,5SR,7RS)-7-Bromo-5-phenyl-2-oxabicyclo[2.2.2]octane-3-one")
