| SpectraBase Spectrum ID |
3LMRtM4iYqv |
| Name |
3,4-Dihydroxy-L-phenylalanine, N,o,o'-tris(ethoxycarbonyl)-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
427.147845999 u |
| Formula |
C19H25NO10 |
| InChI |
InChI=1S/C19H25NO10/c1-5-26-17(22)20-13(16(21)25-4)10-12-8-9-14(29-18(23)27-6-2)15(11-12)30-19(24)28-7-3/h8-9,11,13H,5-7,10H2,1-4H3,(H,20,22)/t13-/m1/s1 |
| InChIKey |
XUJIAMFLBOLTEN-CYBMUJFWSA-N |
| Molecular Weight |
427.406 g/mol |
| SMILES |
C1=CC(=CC(=C1OC(OCC)=O)OC(OCC)=O)C[C@](C(OC)=O)(NC(OCC)=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.96741 |
