| SpectraBase Spectrum ID |
Dq79qrXTkck |
| Name |
Ethyl 4-cyano-7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-3-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
281.126322711 u |
| Formula |
C14H19NO5 |
| InChI |
InChI=1S/C14H19NO5/c1-4-18-11(16)10-9(7-15)14(20-12(10)17)5-6-19-13(2,3)8-14/h9-10H,4-6,8H2,1-3H3 |
| InChIKey |
LHLUYJVQNYEOKY-UHFFFAOYSA-N |
| SMILES |
C12(C(C(C(OCC)=O)C(O2)=O)C#N)CC(OCC1)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945655 |
![Ethyl 4-cyano-7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-3-carboxylate](/api/spectrum/Dq79qrXTkck/structure.png?h=300&w=458 "Ethyl 4-cyano-7,7-dimethyl-2-oxo-1,8-dioxaspiro[4.5]decane-3-carboxylate")
