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Sebacic acid, 4-chloro-2-methylphenyl tridecyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 4-chloro-2-methylphenyl tridecyl ester
SpectraBase Compound ID 7wIAsVE1svm
InChI InChI=1S/C30H49ClO4/c1-3-4-5-6-7-8-9-10-13-16-19-24-34-29(32)20-17-14-11-12-15-18-21-30(33)35-28-23-22-27(31)25-26(28)2/h22-23,25H,3-21,24H2,1-2H3
InChIKey HKFSQOYCDNAEFH-UHFFFAOYSA-N
Mol Weight 509.2 g/mol
Molecular Formula C30H49ClO4
Exact Mass 508.331938 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EaOVeB5MYPz
Name Sebacic acid, 4-chloro-2-methylphenyl tridecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 508.331937754 u
Formula C30H49ClO4
InChI InChI=1S/C30H49ClO4/c1-3-4-5-6-7-8-9-10-13-16-19-24-34-29(32)20-17-14-11-12-15-18-21-30(33)35-28-23-22-27(31)25-26(28)2/h22-23,25H,3-21,24H2,1-2H3
InChIKey HKFSQOYCDNAEFH-UHFFFAOYSA-N
Molecular Weight 509.171 g/mol
SMILES C(C(OC=1C(C)=CC(=CC1)Cl)=O)CCCCCCCC(OCCCCCCCCCCCCC)=O