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Succinic acid, tridec-2-yn-1-yl 2,4,5-trichlorophenyl ester

View entire compound with spectra: 1 NMR

Succinic acid, tridec-2-yn-1-yl 2,4,5-trichlorophenyl ester
SpectraBase Compound ID byABQ7mP5R
InChI InChI=1S/C23H29Cl3O4/c1-2-3-4-5-6-7-8-9-10-11-12-15-29-22(27)13-14-23(28)30-21-17-19(25)18(24)16-20(21)26/h16-17H,2-10,13-15H2,1H3
InChIKey XGAHYYQIRWSVGI-UHFFFAOYSA-N
Mol Weight 475.84 g/mol
Molecular Formula C23H29Cl3O4
Exact Mass 474.113143 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4rIkr6cvgjQ
Name Succinic acid, tridec-2-yn-1-yl 2,4,5-trichlorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 474.113142510 u
Formula C23H29Cl3O4
InChI InChI=1S/C23H29Cl3O4/c1-2-3-4-5-6-7-8-9-10-11-12-15-29-22(27)13-14-23(28)30-21-17-19(25)18(24)16-20(21)26/h16-17H,2-10,13-15H2,1H3
InChIKey XGAHYYQIRWSVGI-UHFFFAOYSA-N
Molecular Weight 475.840 g/mol
SMILES C(CC(OCC#CCCCCCCCCCC)=O)C(OC=1C(=CC(=C(C1)Cl)Cl)Cl)=O