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Fumaric acid, butyl 2-chloropropyl ester
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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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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