SpectraBase Compound ID | LWeTaKuusek |
---|---|
InChI | InChI=1S/C16H20O4/c1-3-5-11-19-15(17)9-10-16(18)20-14-8-6-7-13(4-2)12-14/h6-10,12H,3-5,11H2,1-2H3/b10-9+ |
InChIKey | GTZFJRUPSXQDPO-MDZDMXLPSA-N |
Mol Weight | 276.33 g/mol |
Molecular Formula | C16H20O4 |
Exact Mass | 276.136159 g/mol |
SpectraBase Spectrum ID | DnbvYciyX0A |
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Name | Fumaric acid, butyl 3-ethylphenyl 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/c1-3-5-11-19-15(17)9-10-16(18)20-14-8-6-7-13(4-2)12-14/h6-10,12H,3-5,11H2,1-2H3/b10-9+ |
InChIKey | GTZFJRUPSXQDPO-MDZDMXLPSA-N |
SMILES | C(OC1=CC(=CC=C1)CC)(\C=C\C(OCCCC)=O)=O |