| SpectraBase Spectrum ID |
3RlwNVsY9Ba |
| Name |
Tert-leucine, N-ethoxycarbonyl-, isohexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
287.209658414 u |
| Formula |
C15H29NO4 |
| InChI |
InChI=1S/C15H29NO4/c1-7-19-14(18)16-12(15(4,5)6)13(17)20-10-8-9-11(2)3/h11-12H,7-10H2,1-6H3,(H,16,18) |
| InChIKey |
CGWXRXGNEMAJGS-UHFFFAOYSA-N |
| SMILES |
CC(C)CCCOC(C(NC(OCC)=O)C(C)(C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.883344 |
