| SpectraBase Spectrum ID |
9X2CyXnSNEo |
| Name |
Benzenepropanoic acid, .beta.-amino-3,4-dimethoxy-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
239.115758027 u |
| Formula |
C12H17NO4 |
| InChI |
InChI=1S/C12H17NO4/c1-15-10-5-4-8(6-11(10)16-2)9(13)7-12(14)17-3/h4-6,9H,7,13H2,1-3H3 |
| InChIKey |
DPDHEFCLHFWWJB-UHFFFAOYSA-N |
| Molecular Weight |
239.271 g/mol |
| SMILES |
C(N)(CC(=O)OC)C1=CC(=C(C=C1)OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.970807 |
