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Sebacic acid, 4-chlorophenyl tetradecyl ester
SpectraBase Compound ID Lidnmx5gu1l
InChI InChI=1S/C30H49ClO4/c1-2-3-4-5-6-7-8-9-10-13-16-19-26-34-29(32)20-17-14-11-12-15-18-21-30(33)35-28-24-22-27(31)23-25-28/h22-25H,2-21,26H2,1H3
InChIKey HTNVFOWSJLYUSD-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 8LHCvpfkel3
Name Sebacic acid, 4-chlorophenyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 508.331937754 u
Formula C30H49ClO4
InChI InChI=1S/C30H49ClO4/c1-2-3-4-5-6-7-8-9-10-13-16-19-26-34-29(32)20-17-14-11-12-15-18-21-30(33)35-28-24-22-27(31)23-25-28/h22-25H,2-21,26H2,1H3
InChIKey HTNVFOWSJLYUSD-UHFFFAOYSA-N
Molecular Weight 509.171 g/mol
SMILES C(CCCCCCCC(OC1=CC=C(C=C1)Cl)=O)C(OCCCCCCCCCCCCCC)=O