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Succinic acid, 2-chlorophenethyl pentadecyl ester

View entire compound with spectra: 1 NMR

Succinic acid, 2-chlorophenethyl pentadecyl ester
SpectraBase Compound ID KA6JhyCnPm8
InChI InChI=1S/C27H43ClO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-31-26(29)19-20-27(30)32-23-21-24-17-14-15-18-25(24)28/h14-15,17-18H,2-13,16,19-23H2,1H3
InChIKey IYKOBYPJOLNLND-UHFFFAOYSA-N
Mol Weight 467.1 g/mol
Molecular Formula C27H43ClO4
Exact Mass 466.284988 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FbYKDV0U8v6
Name Succinic acid, 2-chlorophenethyl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 466.284987561 u
Formula C27H43ClO4
InChI InChI=1S/C27H43ClO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-22-31-26(29)19-20-27(30)32-23-21-24-17-14-15-18-25(24)28/h14-15,17-18H,2-13,16,19-23H2,1H3
InChIKey IYKOBYPJOLNLND-UHFFFAOYSA-N
Molecular Weight 467.090 g/mol
SMILES C(CCC(OCCC1=C(C=CC=C1)Cl)=O)(OCCCCCCCCCCCCCCC)=O