| SpectraBase Spectrum ID |
DBllyNR4EM6 |
| Name |
Alanylalanine, N,N'-dimethyl-N'-neopentyloxycarbonyl-, neopentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
372.262422262 u |
| Formula |
C19H36N2O5 |
| InChI |
InChI=1S/C19H36N2O5/c1-13(21(10)17(24)26-12-19(6,7)8)15(22)20(9)14(2)16(23)25-11-18(3,4)5/h13-14H,11-12H2,1-10H3 |
| InChIKey |
WDUAYMRQIBZSBE-UHFFFAOYSA-N |
| Molecular Weight |
372.506 g/mol |
| SMILES |
CC(COC(N(C(C(N(C(C(OCC(C)(C)C)=O)C)C)=O)C)C)=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.900268 |
