| SpectraBase Spectrum ID |
JV95xne8w5I |
| Name |
.beta.-Naphthol, N-cbz-aspartyl-L-glycinate ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
450.142701049 u |
| Formula |
C24H22N2O7 |
| InChI |
InChI=1S/C24H22N2O7/c27-21(28)13-20(26-24(31)32-15-16-6-2-1-3-7-16)23(30)25-14-22(29)33-19-11-10-17-8-4-5-9-18(17)12-19/h1-12,20H,13-15H2,(H,25,30)(H,26,31)(H,27,28) |
| InChIKey |
HLKGZLLLBXWCPZ-UHFFFAOYSA-N |
| Molecular Weight |
450.447 g/mol |
| SMILES |
C1=C(C=CC2=C1C=CC=C2)OC(CNC(=O)C(CC(O)=O)NC(OCC1=CC=CC=C1)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.800136 |
