SpectraBase Compound ID | H0YHgbmfDGF |
---|---|
InChI | InChI=1S/C13H22O4/c1-4-16-12(14)7-5-6-8-13(15)17-10-9-11(2)3/h2,4-10H2,1,3H3 |
InChIKey | CUAAYQHVUNRARX-UHFFFAOYSA-N |
Mol Weight | 242.31 g/mol |
Molecular Formula | C13H22O4 |
Exact Mass | 242.151809 g/mol |
SpectraBase Spectrum ID | 6P6AYXJwN8j |
---|---|
Name | Adipic acid, ethyl 3-methylbut-3-enyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 242.151809184 u |
Formula | C13H22O4 |
InChI | InChI=1S/C13H22O4/c1-4-16-12(14)7-5-6-8-13(15)17-10-9-11(2)3/h2,4-10H2,1,3H3 |
InChIKey | CUAAYQHVUNRARX-UHFFFAOYSA-N |
Molecular Weight | 242.315 g/mol |
SMILES | C(CCCC(OCCC(C)=C)=O)C(OCC)=O |