SpectraBase Compound ID | A8GN6ayvPm4 |
---|---|
InChI | InChI=1S/C12H16O4/c1-9(2)7-15-11(13)5-6-12(14)16-8-10(3)4/h5-6H,1,3,7-8H2,2,4H3/b6-5+ |
InChIKey | VMZLQRNXDDTZAV-AATRIKPKSA-N |
Mol Weight | 224.26 g/mol |
Molecular Formula | C12H16O4 |
Exact Mass | 224.104859 g/mol |
SpectraBase Spectrum ID | 6FRVwaK1tFD |
---|---|
Name | Fumaric acid, di(2-methylallyl) ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 224.104858991 u |
Formula | C12H16O4 |
InChI | InChI=1S/C12H16O4/c1-9(2)7-15-11(13)5-6-12(14)16-8-10(3)4/h5-6H,1,3,7-8H2,2,4H3/b6-5+ |
InChIKey | VMZLQRNXDDTZAV-AATRIKPKSA-N |
Molecular Weight | 224.256 g/mol |
SMILES | CC(COC(\C=C\C(OCC(=C)C)=O)=O)=C |