| SpectraBase Spectrum ID |
D3Jqo2igHdk |
| Name |
2-Amino-3-(3-chloro-4-methyloxy-phenyl)propanoic acid, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
243.066221012 u |
| Formula |
C11H14ClNO3 |
| InChI |
InChI=1S/C11H14ClNO3/c1-15-10-4-3-7(5-8(10)12)6-9(13)11(14)16-2/h3-5,9H,6,13H2,1-2H3 |
| InChIKey |
QUBSTZJVDZUTFR-UHFFFAOYSA-N |
| Molecular Weight |
243.690 g/mol |
| SMILES |
C(C(CC1=CC(=C(C=C1)OC)Cl)N)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.917189 |
