| SpectraBase Spectrum ID |
mdF1SPk3LC |
| Name |
(2R,3S)-N-Methyl-3-bromo-2-methyl-2-benzoyloxy-butyric acid amide |
| Appearance |
Colorless solid |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
313.031356376 u |
| Formula |
C13H16BrNO3 |
| InChI |
InChI=1S/C13H16BrNO3/c1-9(14)13(2,12(17)15-3)18-11(16)10-7-5-4-6-8-10/h4-9H,1-3H3,(H,15,17)/t9-,13-/m0/s1 |
| InChIKey |
SUUMLVAKCBYMEE-ZANVPECISA-N |
| Instrument Name |
Finnigan MAT SSQ 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201405888 |
| Molecular Weight |
314.179 g/mol |
| Quality |
104 |
| Reported Formula |
C13H16O3NBr |
| SMILES |
N(C)C([C@@]([C@](C)(Br)[H])(C)OC(C1=CC=CC=C1)=O)=O |
| SPLASH |
splash10-0a4i-1917000000-89b4831565ef91c212ea |
| Sample Comments |
dr >95:5 |
| Source of Spectrum |
QE-21-SM28-7p (DOI: 10.1002/chem.201405888) |
| Thin-Layer Chromatography |
0.36 (hexane/EtOAc, 6:4) |
| Wiley ID |
1907055 |
