| SpectraBase Spectrum ID |
Ex9gostYaKr |
| Name |
3-(3,4-Dihydroxyphenyl)-2-methyl-L-alanine, N,o,o'-tri(methoxycarbonyl)-, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
399.116545870 u |
| Formula |
C17H21NO10 |
| InChI |
InChI=1S/C17H21NO10/c1-17(13(19)23-2,18-14(20)24-3)9-10-6-7-11(27-15(21)25-4)12(8-10)28-16(22)26-5/h6-8H,9H2,1-5H3,(H,18,20) |
| InChIKey |
VBQHJGVJIDCZDZ-UHFFFAOYSA-N |
| Molecular Weight |
399.352 g/mol |
| SMILES |
C1=CC(=CC(=C1OC(OC)=O)OC(OC)=O)CC(C(OC)=O)(C)NC(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.954584 |
