| SpectraBase Spectrum ID |
IFZ2RY80ulB |
| Name |
Valylvaline, N,N'-dimethyl-N'-neopentyloxycarbonyl-, propyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
400.293722391 u |
| Formula |
C21H40N2O5 |
| InChI |
InChI=1S/C21H40N2O5/c1-11-12-27-19(25)17(15(4)5)22(9)18(24)16(14(2)3)23(10)20(26)28-13-21(6,7)8/h14-17H,11-13H2,1-10H3 |
| InChIKey |
RECDILFLKNHJKT-UHFFFAOYSA-N |
| Molecular Weight |
400.560 g/mol |
| SMILES |
CC(COC(N(C(C(N(C(C(C)C)C(OCCC)=O)C)=O)C(C)C)C)=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.83639 |
