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Pimelic acid, 4-chloro-2-formylphenyl decyl ester

View entire compound with spectra: 1 NMR

Pimelic acid, 4-chloro-2-formylphenyl decyl ester
SpectraBase Compound ID 4Uwq7STYpGC
InChI InChI=1S/C24H35ClO5/c1-2-3-4-5-6-7-8-12-17-29-23(27)13-10-9-11-14-24(28)30-22-16-15-21(25)18-20(22)19-26/h15-16,18-19H,2-14,17H2,1H3
InChIKey UONYMKZDNPGYPK-UHFFFAOYSA-N
Mol Weight 439.0 g/mol
Molecular Formula C24H35ClO5
Exact Mass 438.217302 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1bI1vZHGIRC
Name Pimelic acid, 4-chloro-2-formylphenyl decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 438.217301922 u
Formula C24H35ClO5
InChI InChI=1S/C24H35ClO5/c1-2-3-4-5-6-7-8-12-17-29-23(27)13-10-9-11-14-24(28)30-22-16-15-21(25)18-20(22)19-26/h15-16,18-19H,2-14,17H2,1H3
InChIKey UONYMKZDNPGYPK-UHFFFAOYSA-N
Molecular Weight 438.992 g/mol
SMILES C(CCCC(OCCCCCCCCCC)=O)CC(OC1=CC=C(C=C1C=O)Cl)=O