| SpectraBase Spectrum ID |
5XKNeZJoqpQ |
| Name |
(2R,3R)-3-Hydroxy-2-methyl-3-(4-nitrophenyl)propanoic acid methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
239.079372518 u |
| Formula |
C11H13NO5 |
| InChI |
InChI=1S/C11H13NO5/c1-7(11(14)17-2)10(13)8-3-5-9(6-4-8)12(15)16/h3-7,10,13H,1-2H3/t7-,10-/m1/s1 |
| InChIKey |
AJJIUFVJCPPPCH-GMSGAONNSA-N |
| Molecular Weight |
239.227 g/mol |
| SMILES |
C1(N(=O)=O)=CC=C([C@@]([C@](C(=O)OC)(C)[H])(O)[H])C=C1 |
