| SpectraBase Spectrum ID |
LFlTNJqCjZW |
| Name |
L-Isoleucine, N-neopentyloxycarbonyl-, neopentyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
315.240958543 u |
| Formula |
C17H33NO4 |
| InChI |
InChI=1S/C17H33NO4/c1-9-12(2)13(14(19)21-10-16(3,4)5)18-15(20)22-11-17(6,7)8/h12-13H,9-11H2,1-8H3,(H,18,20) |
| InChIKey |
ANJACRICGOGTGH-UHFFFAOYSA-N |
| Molecular Weight |
315.454 g/mol |
| SMILES |
C(NC(OCC(C)(C)C)=O)(C(OCC(C)(C)C)=O)C(C)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.990119 |
