| SpectraBase Spectrum ID |
GeJqLZIsoMX |
| Name |
L-Valine, N-isobutoxycarbonyl-, heptadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
455.397459187 u |
| Formula |
C27H53NO4 |
| InChI |
InChI=1S/C27H53NO4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-31-26(29)25(24(4)5)28-27(30)32-22-23(2)3/h23-25H,6-22H2,1-5H3,(H,28,30) |
| InChIKey |
YTPXBTHJDUUTJL-UHFFFAOYSA-N |
| Molecular Weight |
455.724 g/mol |
| SMILES |
CC(COC(NC(C(OCCCCCCCCCCCCCCCCC)=O)C(C)C)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.85447 |
