| SpectraBase Spectrum ID |
3XSxZZus6u2 |
| Name |
3,4-Dihydroxy-L-phenylalanine, N,o,o'-tris(N-propyloxycarbonyl)-, N-propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
497.226096321 u |
| Formula |
C24H35NO10 |
| InChI |
InChI=1S/C24H35NO10/c1-5-11-30-21(26)18(25-22(27)31-12-6-2)15-17-9-10-19(34-23(28)32-13-7-3)20(16-17)35-24(29)33-14-8-4/h9-10,16,18H,5-8,11-15H2,1-4H3,(H,25,27)/t18-/m1/s1 |
| InChIKey |
AIPABKGXLJQDHY-GOSISDBHSA-N |
| Molecular Weight |
497.541 g/mol |
| SMILES |
C1=CC(=CC(=C1OC(OCCC)=O)OC(OCCC)=O)C[C@](C(OCCC)=O)(NC(OCCC)=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.965094 |
