| SpectraBase Spectrum ID |
IfXOoMmH5A1 |
| Name |
L-Leucine, N-neopentyloxycarbonyl-, butyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
301.225308478 u |
| Formula |
C16H31NO4 |
| InChI |
InChI=1S/C16H31NO4/c1-7-8-9-20-14(18)13(10-12(2)3)17-15(19)21-11-16(4,5)6/h12-13H,7-11H2,1-6H3,(H,17,19) |
| InChIKey |
VZZGFXWMGKDKFF-UHFFFAOYSA-N |
| SMILES |
CC(COC(NC(C(OCCCC)=O)CC(C)C)=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.939897 |
