| SpectraBase Spectrum ID |
DqvnVQSQfQ3 |
| Name |
L-Norvaline, N-(2-ethylhexyloxycarbonyl)-, decyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
413.350508993 u |
| Formula |
C24H47NO4 |
| InChI |
InChI=1S/C24H47NO4/c1-5-9-11-12-13-14-15-16-19-28-23(26)22(17-7-3)25-24(27)29-20-21(8-4)18-10-6-2/h21-22H,5-20H2,1-4H3,(H,25,27) |
| InChIKey |
KZGMTPCHGWAQBT-UHFFFAOYSA-N |
| Molecular Weight |
413.643 g/mol |
| SMILES |
CCCC(C(OCCCCCCCCCC)=O)NC(=O)OCC(CCCC)CC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9197 |
