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Pimelic acid, 2-chlorophenyl decyl ester

View entire compound with spectra: 1 NMR

Pimelic acid, 2-chlorophenyl decyl ester
SpectraBase Compound ID GPuVA1g2WpI
InChI InChI=1S/C23H35ClO4/c1-2-3-4-5-6-7-8-14-19-27-22(25)17-10-9-11-18-23(26)28-21-16-13-12-15-20(21)24/h12-13,15-16H,2-11,14,17-19H2,1H3
InChIKey LBVROECMJRIFLO-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 4bs4blx5alh
Name Pimelic acid, 2-chlorophenyl decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 410.222387303 u
Formula C23H35ClO4
InChI InChI=1S/C23H35ClO4/c1-2-3-4-5-6-7-8-14-19-27-22(25)17-10-9-11-18-23(26)28-21-16-13-12-15-20(21)24/h12-13,15-16H,2-11,14,17-19H2,1H3
InChIKey LBVROECMJRIFLO-UHFFFAOYSA-N
Molecular Weight 410.982 g/mol
SMILES C1=CC(Cl)=C(OC(=O)CCCCCC(OCCCCCCCCCC)=O)C=C1