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Fumaric acid, 2,4,4-trimethylpentyl 8-chlorooctyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 2,4,4-trimethylpentyl 8-chlorooctyl ester
SpectraBase Compound ID 23ybjXjjZ3F
InChI InChI=1S/C20H35ClO4/c1-17(15-20(2,3)4)16-25-19(23)12-11-18(22)24-14-10-8-6-5-7-9-13-21/h11-12,17H,5-10,13-16H2,1-4H3/b12-11+
InChIKey YCGNJPLNGBLDBL-VAWYXSNFSA-N
Mol Weight 374.9 g/mol
Molecular Formula C20H35ClO4
Exact Mass 374.222387 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 610nqrMkgxH
Name Fumaric acid, 2,4,4-trimethylpentyl 8-chlorooctyl ester
Comments Computed using HOSE algorithm
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Exact Mass 374.222387303 u
Formula C20H35ClO4
InChI InChI=1S/C20H35ClO4/c1-17(15-20(2,3)4)16-25-19(23)12-11-18(22)24-14-10-8-6-5-7-9-13-21/h11-12,17H,5-10,13-16H2,1-4H3/b12-11+
InChIKey YCGNJPLNGBLDBL-VAWYXSNFSA-N
Molecular Weight 374.949 g/mol
SMILES C(\C=C\C(OCCCCCCCCCl)=O)(OCC(CC(C)(C)C)C)=O