| SpectraBase Spectrum ID |
8O5MUWTYY05 |
| Name |
leu-leu, N,N'-Dimethyl-N-(N-propyloxycarbonyl)-, methyl ester (isomer 1) |
| 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/c1-9-10-26-19(24)21(7)15(11-13(2)3)17(22)20(6)16(12-14(4)5)18(23)25-8/h13-16H,9-12H2,1-8H3 |
| InChIKey |
XMRQMWQNUVLWBW-UHFFFAOYSA-N |
| Molecular Weight |
372.506 g/mol |
| SMILES |
CC(CC(C(N(C(CC(C)C)C(OC)=O)C)=O)N(C)C(OCCC)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.818546 |
