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Glutaric acid, tridec-2-yn-1-yl 2,4-dichlorophenyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, tridec-2-yn-1-yl 2,4-dichlorophenyl ester
SpectraBase Compound ID LVzy4vvMGtm
InChI InChI=1S/C24H32Cl2O4/c1-2-3-4-5-6-7-8-9-10-11-12-18-29-23(27)14-13-15-24(28)30-22-17-16-20(25)19-21(22)26/h16-17,19H,2-10,13-15,18H2,1H3
InChIKey OWBKMLCSACAMIT-UHFFFAOYSA-N
Mol Weight 455.4 g/mol
Molecular Formula C24H32Cl2O4
Exact Mass 454.167765 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9joEua1Hwh3
Name Glutaric acid, tridec-2-yn-1-yl 2,4-dichlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 454.167764906 u
Formula C24H32Cl2O4
InChI InChI=1S/C24H32Cl2O4/c1-2-3-4-5-6-7-8-9-10-11-12-18-29-23(27)14-13-15-24(28)30-22-17-16-20(25)19-21(22)26/h16-17,19H,2-10,13-15,18H2,1H3
InChIKey OWBKMLCSACAMIT-UHFFFAOYSA-N
Molecular Weight 455.422 g/mol
SMILES C(CCC(OCC#CCCCCCCCCCC)=O)C(OC=1C(=CC(=CC1)Cl)Cl)=O