| SpectraBase Spectrum ID |
77Fin4aPvwr |
| Name |
3-Aminobutyric acid, N-(N-isobutoxycarbonyl-3-aminobutyryl)-, isobutyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
344.231122133 u |
| Formula |
C17H32N2O5 |
| InChI |
InChI=1S/C17H32N2O5/c1-11(2)9-23-16(21)8-14(6)18-15(20)7-13(5)19-17(22)24-10-12(3)4/h11-14H,7-10H2,1-6H3,(H,18,20)(H,19,22) |
| InChIKey |
BNLFKIWTEOVDAA-UHFFFAOYSA-N |
| Molecular Weight |
344.452 g/mol |
| SMILES |
CC(C)COC(NC(CC(NC(C)CC(OCC(C)C)=O)=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921369 |
