| SpectraBase Spectrum ID |
rS7PMkSYg0 |
| Name |
3-Aminobutyric acid, N-isobutoxycarbonyl-, butyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
259.178358285 u |
| Formula |
C13H25NO4 |
| InChI |
InChI=1S/C13H25NO4/c1-5-6-7-17-12(15)8-11(4)14-13(16)18-9-10(2)3/h10-11H,5-9H2,1-4H3,(H,14,16) |
| InChIKey |
VKSIUXKEEFMVNK-UHFFFAOYSA-N |
| Molecular Weight |
259.346 g/mol |
| SMILES |
CC(COC(NC(CC(OCCCC)=O)C)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960448 |
