SpectraBase Compound ID | 7RPRZUqB8v6 |
---|---|
InChI | InChI=1S/C16H20O4/c1-11(2)10-19-15(17)7-8-16(18)20-14-6-5-12(3)13(4)9-14/h5-9,11H,10H2,1-4H3/b8-7+ |
InChIKey | DZPVVERJKBSHRA-BQYQJAHWSA-N |
Mol Weight | 276.33 g/mol |
Molecular Formula | C16H20O4 |
Exact Mass | 276.136159 g/mol |
SpectraBase Spectrum ID | J92NXz9XFk2 |
---|---|
Name | Fumaric acid, 3,4-dimethylphenyl isobutyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 276.136159120 u |
Formula | C16H20O4 |
InChI | InChI=1S/C16H20O4/c1-11(2)10-19-15(17)7-8-16(18)20-14-6-5-12(3)13(4)9-14/h5-9,11H,10H2,1-4H3/b8-7+ |
InChIKey | DZPVVERJKBSHRA-BQYQJAHWSA-N |
SMILES | CC(COC(\C=C\C(OC1=CC=C(C)C(C)=C1)=O)=O)C |