| SpectraBase Spectrum ID |
EruPSGq1Gwq |
| Name |
dl-3-Aminobutanoic acid, N-(2-ethylhexyl)oxycarbonyl-, butyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
315.240958543 u |
| Formula |
C17H33NO4 |
| InChI |
InChI=1S/C17H33NO4/c1-5-8-10-15(7-3)13-22-17(20)18-14(4)12-16(19)21-11-9-6-2/h14-15H,5-13H2,1-4H3,(H,18,20) |
| InChIKey |
QTFIGKRLCNEQPI-UHFFFAOYSA-N |
| Molecular Weight |
315.454 g/mol |
| SMILES |
C(CC(NC(OCC(CCCC)CC)=O)C)(OCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.9266 |
