| SpectraBase Spectrum ID |
ImCZugncmb |
| Name |
L-Isoleucine, N-neopentyloxycarbonyl-, isobutyl 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/c1-8-12(4)13(14(18)20-9-11(2)3)17-15(19)21-10-16(5,6)7/h11-13H,8-10H2,1-7H3,(H,17,19) |
| InChIKey |
OAGRSUPAOXKNGB-UHFFFAOYSA-N |
| SMILES |
C(NC(OCC(C)(C)C)=O)(C(OCC(C)C)=O)C(C)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.968807 |
