| SpectraBase Spectrum ID |
8UWYM78z0E4 |
| Name |
o-(2,2,2-Triefluoroethyl)-N-carbobenzyloxy-glutamylglycine ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
448.145735571 u |
| Formula |
C19H23F3N2O7 |
| InChI |
InChI=1S/C19H23F3N2O7/c1-29-16(26)11-23-17(27)14(7-8-15(25)30-10-9-19(20,21)22)24-18(28)31-12-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,23,27)(H,24,28) |
| InChIKey |
CXQWEYVISHBUHP-UHFFFAOYSA-N |
| Molecular Weight |
448.395 g/mol |
| SMILES |
C(C(NCC(OC)=O)=O)(CCC(OCCC(F)(F)F)=O)NC(OCC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.87663 |
