| SpectraBase Spectrum ID |
BO9BC5E9SMN |
| Name |
dl-3-Aminobutanoic acid, N-(2-ethylhexyl)oxycarbonyl-, decyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
399.334858929 u |
| Formula |
C23H45NO4 |
| InChI |
InChI=1S/C23H45NO4/c1-5-8-10-11-12-13-14-15-17-27-22(25)18-20(4)24-23(26)28-19-21(7-3)16-9-6-2/h20-21H,5-19H2,1-4H3,(H,24,26) |
| InChIKey |
XRLZGHANDQIALO-UHFFFAOYSA-N |
| Molecular Weight |
399.616 g/mol |
| SMILES |
C(CC(NC(OCC(CCCC)CC)=O)C)(OCCCCCCCCCC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931301 |
