| SpectraBase Spectrum ID |
CF7MsmJZJ3s |
| Name |
(R)-2-Benzylamino-3-hydroxypropionic acid, methyl ether, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
223.120843408 u |
| Formula |
C12H17NO3 |
| InChI |
InChI=1S/C12H17NO3/c1-15-9-11(12(14)16-2)13-8-10-6-4-3-5-7-10/h3-7,11,13H,8-9H2,1-2H3/t11-/m1/s1 |
| InChIKey |
JMFGUKANWAOSDS-LLVKDONJSA-N |
| Molecular Weight |
223.272 g/mol |
| SMILES |
[C@](NCC1=CC=CC=C1)(COC)(C(=O)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.972812 |
