| SpectraBase Spectrum ID |
6MtZ1pu67iQ |
| Name |
2-Pentenoic acid, 3-amino-4-(1-ethoxyethoxy)-, 1,1-dimethylethyl 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/c1-7-16-10(3)17-9(2)11(14)8-12(15)18-13(4,5)6/h8-10H,7,14H2,1-6H3/b11-8- |
| InChIKey |
JVBZWVVHNPPINY-FLIBITNWSA-N |
| Molecular Weight |
259.346 g/mol |
| SMILES |
C(\C(=C\C(OC(C)(C)C)=O)N)(OC(OCC)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.813793 |
