| SpectraBase Spectrum ID |
7Qm7WlbOOLZ |
| Name |
L-Alanine, N-octanoyl-, nonyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
341.292994117 u |
| Formula |
C20H39NO3 |
| InChI |
InChI=1S/C20H39NO3/c1-4-6-8-10-11-13-15-17-24-20(23)18(3)21-19(22)16-14-12-9-7-5-2/h18H,4-17H2,1-3H3,(H,21,22) |
| InChIKey |
XWWNPRPKNHGHQE-UHFFFAOYSA-N |
| Molecular Weight |
341.536 g/mol |
| SMILES |
CCCCCCCC(NC(C)C(OCCCCCCCCC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.977429 |
