| SpectraBase Spectrum ID |
GqocySXLPK9 |
| Name |
D-Norleucine, N-propoxycarbonyl-, 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/c1-4-7-9-10-11-12-13-14-15-16-17-18-19-20-21-24-31-26(29)25(22-8-5-2)28-27(30)32-23-6-3/h25H,4-24H2,1-3H3,(H,28,30) |
| InChIKey |
RIHQDKJFGQRKOE-UHFFFAOYSA-N |
| Molecular Weight |
455.724 g/mol |
| SMILES |
CCCCCCCCCCCCCCCCCOC(C(NC(OCCC)=O)CCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.936358 |
