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Glutaric acid, 8-chlorooctyl octadecyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 8-chlorooctyl octadecyl ester
SpectraBase Compound ID GTttkLXeTD1
InChI InChI=1S/C31H59ClO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-28-35-30(33)25-24-26-31(34)36-29-23-20-17-15-18-21-27-32/h2-29H2,1H3
InChIKey WIBYWMFCGLATST-UHFFFAOYSA-N
Mol Weight 531.3 g/mol
Molecular Formula C31H59ClO4
Exact Mass 530.410188 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EqiB0GJ7kE2
Name Glutaric acid, 8-chlorooctyl octadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 530.410188076 u
Formula C31H59ClO4
InChI InChI=1S/C31H59ClO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-28-35-30(33)25-24-26-31(34)36-29-23-20-17-15-18-21-27-32/h2-29H2,1H3
InChIKey WIBYWMFCGLATST-UHFFFAOYSA-N
Molecular Weight 531.262 g/mol
SMILES C(CCC(OCCCCCCCCCl)=O)C(OCCCCCCCCCCCCCCCCCC)=O