| SpectraBase Spectrum ID |
AGXUuxFS0N0 |
| Name |
Leucine, N-benzoyl-, methyl ester, L- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
249.136493473 u |
| Formula |
C14H19NO3 |
| InChI |
InChI=1S/C14H19NO3/c1-10(2)9-12(14(17)18-3)15-13(16)11-7-5-4-6-8-11/h4-8,10,12H,9H2,1-3H3,(H,15,16) |
| InChIKey |
BWMCGUZUOFOKJF-UHFFFAOYSA-N |
| Molecular Weight |
249.310 g/mol |
| SMILES |
C(NC(C(=O)OC)CC(C)C)(=O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.924477 |
