| SpectraBase Spectrum ID |
Cl6Chn8a42g |
| Name |
L-Isoleucine, N-neopentyloxycarbonyl-, pentyl 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/c1-7-9-10-11-21-15(19)14(13(3)8-2)18-16(20)22-12-17(4,5)6/h13-14H,7-12H2,1-6H3,(H,18,20) |
| InChIKey |
NWROFCPMMFTNPO-UHFFFAOYSA-N |
| Molecular Weight |
315.454 g/mol |
| SMILES |
CCCCCOC(C(NC(OCC(C)(C)C)=O)C(C)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.979653 |
