| SpectraBase Spectrum ID |
C8Sa86BA1q1 |
| Name |
(2R)-2-(Benzyloxycarbonylamino)-3-chloro-propionic acid methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
271.061135631 u |
| Formula |
C12H14ClNO4 |
| InChI |
InChI=1S/C12H14ClNO4/c1-17-11(15)10(7-13)14-12(16)18-8-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,14,16)/t10-/m0/s1 |
| InChIKey |
UQUQXYVMAKOZMV-JTQLQIEISA-N |
| SMILES |
[C@](NC(=O)OCC1=CC=CC=C1)(C(=O)OC)(CCl)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.977052 |
