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Fumaric acid, naphth-1-yl 8-chlorooctyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, naphth-1-yl 8-chlorooctyl ester
SpectraBase Compound ID 4xmEPtCEWFu
InChI InChI=1S/C22H25ClO4/c23-16-7-3-1-2-4-8-17-26-21(24)14-15-22(25)27-20-13-9-11-18-10-5-6-12-19(18)20/h5-6,9-15H,1-4,7-8,16-17H2/b15-14+
InChIKey CMWUKCGKDORCPR-CCEZHUSRSA-N
Mol Weight 388.89 g/mol
Molecular Formula C22H25ClO4
Exact Mass 388.144137 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8EmmD2HfqDm
Name Fumaric acid, naphth-1-yl 8-chlorooctyl ester
Comments Computed using HOSE algorithm
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Exact Mass 388.144136981 u
Formula C22H25ClO4
InChI InChI=1S/C22H25ClO4/c23-16-7-3-1-2-4-8-17-26-21(24)14-15-22(25)27-20-13-9-11-18-10-5-6-12-19(18)20/h5-6,9-15H,1-4,7-8,16-17H2/b15-14+
InChIKey CMWUKCGKDORCPR-CCEZHUSRSA-N
Molecular Weight 388.891 g/mol
SMILES C(\C=C\C(OCCCCCCCCCl)=O)(OC1=CC=CC2=C1C=CC=C2)=O