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Glutaric acid, dodec-2-en-1-yl 2,3-dichlorophenyl ester
SpectraBase Compound ID 2a63cZLGuPU
InChI InChI=1S/C23H32Cl2O4/c1-2-3-4-5-6-7-8-9-10-11-18-28-21(26)16-13-17-22(27)29-20-15-12-14-19(24)23(20)25/h10-12,14-15H,2-9,13,16-18H2,1H3/b11-10+
InChIKey LHLPXHURRXKTRC-ZHACJKMWSA-N
Mol Weight 443.4 g/mol
Molecular Formula C23H32Cl2O4
Exact Mass 442.167765 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FHdvKFHWtrV
Name Glutaric acid, dodec-2-en-1-yl 2,3-dichlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 442.167764906 u
Formula C23H32Cl2O4
InChI InChI=1S/C23H32Cl2O4/c1-2-3-4-5-6-7-8-9-10-11-18-28-21(26)16-13-17-22(27)29-20-15-12-14-19(24)23(20)25/h10-12,14-15H,2-9,13,16-18H2,1H3/b11-10+
InChIKey LHLPXHURRXKTRC-ZHACJKMWSA-N
Molecular Weight 443.411 g/mol
SMILES C(CCC(OC\C=C\CCCCCCCCC)=O)C(OC1=CC=CC(=C1Cl)Cl)=O