SpectraBase Compound ID | KwAylFI9z06 |
---|---|
InChI | InChI=1S/C11H17ClO4/c1-3-4-7-15-10(13)5-6-11(14)16-8-9(2)12/h5-6,9H,3-4,7-8H2,1-2H3/b6-5+ |
InChIKey | DGWPOGSZJVYMBF-AATRIKPKSA-N |
Mol Weight | 248.71 g/mol |
Molecular Formula | C11H17ClO4 |
Exact Mass | 248.081537 g/mol |
SpectraBase Spectrum ID | 6MbAAjCxe55 |
---|---|
Name | Fumaric acid, butyl 2-chloropropyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 248.081536723 u |
Formula | C11H17ClO4 |
InChI | InChI=1S/C11H17ClO4/c1-3-4-7-15-10(13)5-6-11(14)16-8-9(2)12/h5-6,9H,3-4,7-8H2,1-2H3/b6-5+ |
InChIKey | DGWPOGSZJVYMBF-AATRIKPKSA-N |
Molecular Weight | 248.706 g/mol |
SMILES | C(OCC(C)Cl)(\C=C\C(OCCCC)=O)=O |