| SpectraBase Spectrum ID |
GlHfYP2mFep |
| Name |
L-Leucine, N-isobutoxycarbonyl-, pentyl 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/c1-6-7-8-9-20-15(18)14(10-12(2)3)17-16(19)21-11-13(4)5/h12-14H,6-11H2,1-5H3,(H,17,19) |
| InChIKey |
RQTZQBNPMJZGSQ-UHFFFAOYSA-N |
| SMILES |
CC(C)COC(NC(C(OCCCCC)=O)CC(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.903006 |
