| SpectraBase Spectrum ID |
Ed60nXzJyKd |
| Name |
L-Allylglycine, N-neopentyloxycarbonyl-, pentadecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
439.366159058 u |
| Formula |
C26H49NO4 |
| InChI |
InChI=1S/C26H49NO4/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-21-30-24(28)23(20-7-2)27-25(29)31-22-26(3,4)5/h7,23H,2,6,8-22H2,1,3-5H3,(H,27,29) |
| InChIKey |
FDNXEYOIRDJDQM-UHFFFAOYSA-N |
| Molecular Weight |
439.681 g/mol |
| SMILES |
C(CCCCCCCCCOC(C(NC(OCC(C)(C)C)=O)CC=C)=O)CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.85154 |
