| SpectraBase Spectrum ID |
HDIiaYsZoR7 |
| Name |
dl-3-Aminobutanoic acid, N-(2-ethylhexyl)oxycarbonyl-, 2-ethylhexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
371.303558800 u |
| Formula |
C21H41NO4 |
| InChI |
InChI=1S/C21H41NO4/c1-6-10-12-18(8-3)15-25-20(23)14-17(5)22-21(24)26-16-19(9-4)13-11-7-2/h17-19H,6-16H2,1-5H3,(H,22,24) |
| InChIKey |
URVNUTJHEVPINU-UHFFFAOYSA-N |
| Molecular Weight |
371.562 g/mol |
| SMILES |
C(CC(NC(OCC(CCCC)CC)=O)C)(OCC(CCCC)CC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.984574 |
