| SpectraBase Spectrum ID |
BaizkRYAufU |
| Name |
Ethyl 2-(2-cyanoethyl)-3-oxooctanoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C13H21NO3 |
| InChI |
InChI=1S/C13H21NO3/c1-3-5-6-9-12(15)11(8-7-10-14)13(16)17-4-2/h11H,3-9H2,1-2H3 |
| InChIKey |
NJNVUBDFPTUJRY-UHFFFAOYSA-N |
| Literature Reference DOI |
10.1002/anie.201204469 |
| Molecular Weight |
239.315 g/mol |
| SMILES |
C(CC(C(C(=O)OCC)CCC#N)=O)CCC |
| SPLASH |
splash10-0002-9100000000-e5ca103eaf6c1e253ed6 |
| Source of Spectrum |
ACI-51-SM11-S3j |
| Wiley ID |
1780649 |
