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Glutaric acid, 2-chloro-5-methylphenyl undecyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 2-chloro-5-methylphenyl undecyl ester
SpectraBase Compound ID 2zEk32nj4dH
InChI InChI=1S/C23H35ClO4/c1-3-4-5-6-7-8-9-10-11-17-27-22(25)13-12-14-23(26)28-21-18-19(2)15-16-20(21)24/h15-16,18H,3-14,17H2,1-2H3
InChIKey ULDVQIVDYFWSRO-UHFFFAOYSA-N
Mol Weight 411.0 g/mol
Molecular Formula C23H35ClO4
Exact Mass 410.222387 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5scRYVyXCwP
Name Glutaric acid, 2-chloro-5-methylphenyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 410.222387303 u
Formula C23H35ClO4
InChI InChI=1S/C23H35ClO4/c1-3-4-5-6-7-8-9-10-11-17-27-22(25)13-12-14-23(26)28-21-18-19(2)15-16-20(21)24/h15-16,18H,3-14,17H2,1-2H3
InChIKey ULDVQIVDYFWSRO-UHFFFAOYSA-N
Molecular Weight 410.982 g/mol
SMILES C1(OC(=O)CCCC(=O)OCCCCCCCCCCC)=CC(C)=CC=C1Cl