| SpectraBase Spectrum ID |
5BzXtQ0tJe |
| Name |
Ethyl (1R*,3aR*,7'R*)-3a-(Bromomethyl)hexahydro-7-oxo-1-indanacetate |
| CAS Registry Number |
139017-51-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H21BrO3 |
| InChI |
InChI=1S/C14H21BrO3/c1-2-18-12(17)8-10-5-7-14(9-15)6-3-4-11(16)13(10)14/h10,13H,2-9H2,1H3/t10-,13?,14+/m1/s1 |
| InChIKey |
CLRAYAAGGGJGIW-QQMGMQKYSA-N |
| Molecular Weight |
317.223 g/mol |
| SMILES |
[C@@]1(C2[C@@](CBr)(CCCC2=O)CC1)(CC(=O)OCC)[H] |
| SPLASH |
splash10-004r-0920000000-2808dcdb5cc80bd513f8 |
| Source of Spectrum |
J-57-2023-27 |
| Synonyms |
Ethyl[(1R,3aR)-3a-(bromomethyl)-7-oxooctahydro-1H-inden-1-yl]acetate |
| Wiley ID |
1316470 |
