| SpectraBase Spectrum ID |
K3iNWj5zdba |
| Name |
Glycylglycine, N-isobutoxycarbonyl-, pentafluorophenylmethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
412.105762465 u |
| Formula |
C16H17F5N2O5 |
| InChI |
InChI=1S/C16H17F5N2O5/c1-7(2)5-28-16(26)23-3-9(24)22-4-10(25)27-6-8-11(17)13(19)15(21)14(20)12(8)18/h7H,3-6H2,1-2H3,(H,22,24)(H,23,26) |
| InChIKey |
GJTLTDLICKDTQW-UHFFFAOYSA-N |
| Molecular Weight |
412.313 g/mol |
| SMILES |
C(COC(=O)NCC(NCC(OCC1=C(C(=C(C(=C1F)F)F)F)F)=O)=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925596 |
