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Succinic acid, 4-chlorophenethyl octadecyl ester
SpectraBase Compound ID Fg8sgS7huka
InChI InChI=1S/C30H49ClO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25-34-29(32)22-23-30(33)35-26-24-27-18-20-28(31)21-19-27/h18-21H,2-17,22-26H2,1H3
InChIKey FTACGNCTNZQYBC-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 B5PLL2W9brQ
Name Succinic acid, 4-chlorophenethyl octadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 508.331937754 u
Formula C30H49ClO4
InChI InChI=1S/C30H49ClO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25-34-29(32)22-23-30(33)35-26-24-27-18-20-28(31)21-19-27/h18-21H,2-17,22-26H2,1H3
InChIKey FTACGNCTNZQYBC-UHFFFAOYSA-N
Molecular Weight 509.171 g/mol
SMILES C(CCC(OCCC1=CC=C(C=C1)Cl)=O)(OCCCCCCCCCCCCCCCCCC)=O