SpectraBase Compound ID | LSpvkiC2Ypi |
---|---|
InChI | InChI=1S/C13H22O4/c1-3-5-8-11-17-13(15)10-7-6-9-12(14)16-4-2/h3H,1,4-11H2,2H3 |
InChIKey | YXGWLPLHOXJMFK-UHFFFAOYSA-N |
Mol Weight | 242.31 g/mol |
Molecular Formula | C13H22O4 |
Exact Mass | 242.151809 g/mol |
SpectraBase Spectrum ID | 39xwa6Xj9MB |
---|---|
Name | Adipic acid, ethyl pent-4-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/c1-3-5-8-11-17-13(15)10-7-6-9-12(14)16-4-2/h3H,1,4-11H2,2H3 |
InChIKey | YXGWLPLHOXJMFK-UHFFFAOYSA-N |
Molecular Weight | 242.315 g/mol |
SMILES | C(CCC(OCCCC=C)=O)CC(OCC)=O |