| SpectraBase Spectrum ID |
GRPR2A7DVTo |
| Name |
L-Alanine, N-octanoyl-, isohexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
299.246043924 u |
| Formula |
C17H33NO3 |
| InChI |
InChI=1S/C17H33NO3/c1-5-6-7-8-9-12-16(19)18-15(4)17(20)21-13-10-11-14(2)3/h14-15H,5-13H2,1-4H3,(H,18,19) |
| InChIKey |
SIBJPPVWNGXRIB-UHFFFAOYSA-N |
| Molecular Weight |
299.455 g/mol |
| SMILES |
CCCCCCCC(NC(C(OCCCC(C)C)=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948657 |
