| SpectraBase Spectrum ID |
9lRR1p7DWur |
| Name |
3,4-Dihydroxy-L-phenylalanine, N,o,o'-tris(methoxycarbonyl)-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
385.100895806 u |
| Formula |
C16H19NO10 |
| InChI |
InChI=1S/C16H19NO10/c1-22-13(18)10(17-14(19)23-2)7-9-5-6-11(26-15(20)24-3)12(8-9)27-16(21)25-4/h5-6,8,10H,7H2,1-4H3,(H,17,19)/t10-/m1/s1 |
| InChIKey |
NDNBQTPRYGNWDM-SNVBAGLBSA-N |
| Molecular Weight |
385.325 g/mol |
| SMILES |
C1=CC(=CC(=C1OC(OC)=O)OC(OC)=O)C[C@](C(OC)=O)(NC(OC)=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.981827 |
