SpectraBase Spectrum ID |
9UOonmDZoUb |
Name |
Methyl (S)-3-(2-bromo-3-hydroxyphenyl)-3-hydroxy-2,2-dimethylpropanoate |
Appearance |
White solid |
Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Formula |
C12H15BrO4 |
InChI |
InChI=1S/C12H15BrO4/c1-12(2,11(16)17-3)10(15)7-5-4-6-8(14)9(7)13/h4-6,10,14-15H,1-3H3/t10-/m1/s1 |
InChIKey |
WPCPYMDLHMWOMT-SNVBAGLBSA-N |
Instrument Name |
Finnigan MAT 8200 |
Ionization Type |
EI |
Literature Reference DOI |
10.1002/chem.201804987 |
Molecular Weight |
303.152 g/mol |
Optical Rotation |
[a]D20 = -29.2 (c = 0.64, CHCl3) |
Reported Formula |
C12H15BrO4 |
SMILES |
Oc1c(c([C@](C(C(OC)=O)(C)C)(O)[H])ccc1)Br |
SPLASH |
splash10-0udi-4900000000-c1234ad5c66c0be98917 |
Sample Comments |
>99% ee |
Source of Spectrum |
QE-25-SM9-23 |
Wiley ID |
1845962 |