| SpectraBase Spectrum ID |
FYYXrwapxoA |
| Name |
L-Isoleucine, N-neopentyloxycarbonyl-, undecyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
399.334858929 u |
| Formula |
C23H45NO4 |
| InChI |
InChI=1S/C23H45NO4/c1-7-9-10-11-12-13-14-15-16-17-27-21(25)20(19(3)8-2)24-22(26)28-18-23(4,5)6/h19-20H,7-18H2,1-6H3,(H,24,26) |
| InChIKey |
CWKDAQQMZYEPDM-UHFFFAOYSA-N |
| Molecular Weight |
399.616 g/mol |
| SMILES |
CCCCCCCCCCCOC(C(NC(OCC(C)(C)C)=O)C(C)CC)=O |
