| SpectraBase Spectrum ID |
1nUCnFiWUhE |
| Name |
benzoic acid, 4-bromo-, 2-methyl-4-oxobutyl ester,(S)- |
| CAS Registry Number |
104335-81-1 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H13BrO3 |
| InChI |
InChI=1S/C12H13BrO3/c1-9(6-7-14)8-16-12(15)10-2-4-11(13)5-3-10/h2-5,7,9H,6,8H2,1H3/t9-/m0/s1 |
| InChIKey |
PKXHGUHCWRYDLJ-VIFPVBQESA-N |
| Molecular Weight |
285.137 g/mol |
| SMILES |
C(c1ccc(cc1)Br)(OC[C@](CC=O)(C)[H])=O |
| SPLASH |
splash10-0a4i-2930000000-83fa9417ccb1e6d4b0a4 |
| Source of Spectrum |
J-51-4270-15 |
| Synonyms |
(2S)-2-methyl-4-oxobutyl 4-bromobenzoate |
| Wiley ID |
1287429 |
