| SpectraBase Spectrum ID |
2OKnfHjjZ4n |
| Name |
Tert-leucine, N-propoxycarbonyl-, pentyl 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/c1-6-8-9-11-19-13(17)12(15(3,4)5)16-14(18)20-10-7-2/h12H,6-11H2,1-5H3,(H,16,18) |
| InChIKey |
QSWWNKWLOXMDAL-UHFFFAOYSA-N |
| SMILES |
C(NC(OCCC)=O)(C(=O)OCCCCC)C(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.971056 |
