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Succinic acid, 2,3,6-trichlorophenyl undecyl ester

View entire compound with spectra: 1 NMR

Succinic acid, 2,3,6-trichlorophenyl undecyl ester
SpectraBase Compound ID FKMu4L66H9p
InChI InChI=1S/C21H29Cl3O4/c1-2-3-4-5-6-7-8-9-10-15-27-18(25)13-14-19(26)28-21-17(23)12-11-16(22)20(21)24/h11-12H,2-10,13-15H2,1H3
InChIKey USUKNZCGCFUFIM-UHFFFAOYSA-N
Mol Weight 451.82 g/mol
Molecular Formula C21H29Cl3O4
Exact Mass 450.113143 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D7PN44sD72R
Name Succinic acid, 2,3,6-trichlorophenyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 450.113142510 u
Formula C21H29Cl3O4
InChI InChI=1S/C21H29Cl3O4/c1-2-3-4-5-6-7-8-9-10-15-27-18(25)13-14-19(26)28-21-17(23)12-11-16(22)20(21)24/h11-12H,2-10,13-15H2,1H3
InChIKey USUKNZCGCFUFIM-UHFFFAOYSA-N
Molecular Weight 451.818 g/mol
SMILES C(C(OC1=C(C=CC(=C1Cl)Cl)Cl)=O)CC(OCCCCCCCCCCC)=O