| SpectraBase Spectrum ID |
Hz1A5B62zRb |
| Name |
Butanoic acid, 2-(2-cyanoethyl)-2-(2-ethyl-1-oxobutoxy)-3-oxo-, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
297.157622840 u |
| Formula |
C15H23NO5 |
| InChI |
InChI=1S/C15H23NO5/c1-5-12(6-2)13(18)21-15(11(4)17,9-8-10-16)14(19)20-7-3/h12H,5-9H2,1-4H3 |
| InChIKey |
GNOGTTJEAJBEJL-UHFFFAOYSA-N |
| SMILES |
C(C(C(OCC)=O)(C(C)=O)OC(=O)C(CC)CC)CC#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.82301 |
