| SpectraBase Spectrum ID |
20ciZeyaOnb |
| Name |
3-(3,4-Dihydroxyphenyl)-2-methyl-L-alanine, N,o,o'-tri(N-propyloxycarbonyl)-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
483.210446257 u |
| Formula |
C23H33NO10 |
| InChI |
InChI=1S/C23H33NO10/c1-6-11-30-20(26)24-23(4,19(25)29-5)15-16-9-10-17(33-21(27)31-12-7-2)18(14-16)34-22(28)32-13-8-3/h9-10,14H,6-8,11-13,15H2,1-5H3,(H,24,26) |
| InChIKey |
WREIXVAKESNPCX-UHFFFAOYSA-N |
| Molecular Weight |
483.514 g/mol |
| SMILES |
C1=CC(=CC(=C1OC(OCCC)=O)OC(OCCC)=O)CC(C(OC)=O)(C)NC(OCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.97949 |
