SpectraBase Spectrum ID |
IQ2At1Zjwcg |
Name |
3-(3,4-Dihydroxyphenyl)-2-methyl-L-alanine, N,o,o'-tri(I-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/c1-13(2)30-20(26)24-23(7,19(25)29-8)12-16-9-10-17(33-21(27)31-14(3)4)18(11-16)34-22(28)32-15(5)6/h9-11,13-15H,12H2,1-8H3,(H,24,26) |
InChIKey |
RHANOOXLYQNHPD-UHFFFAOYSA-N |
Molecular Weight |
483.514 g/mol |
SMILES |
C1=CC(=CC(=C1OC(OC(C)C)=O)OC(OC(C)C)=O)CC(C(OC)=O)(C)NC(OC(C)C)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959589 |