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Diethylmalonic acid, 3-chlorobenzyl tetradecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 3-chlorobenzyl tetradecyl ester
SpectraBase Compound ID 7lyiURFiBp7
InChI InChI=1S/C28H45ClO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-21-32-26(30)28(5-2,6-3)27(31)33-23-24-19-18-20-25(29)22-24/h18-20,22H,4-17,21,23H2,1-3H3
InChIKey PTBINLNVBMQKLV-UHFFFAOYSA-N
Mol Weight 481.1 g/mol
Molecular Formula C28H45ClO4
Exact Mass 480.300638 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CtGceZr7Rlg
Name Diethylmalonic acid, 3-chlorobenzyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 480.300637625 u
Formula C28H45ClO4
InChI InChI=1S/C28H45ClO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-21-32-26(30)28(5-2,6-3)27(31)33-23-24-19-18-20-25(29)22-24/h18-20,22H,4-17,21,23H2,1-3H3
InChIKey PTBINLNVBMQKLV-UHFFFAOYSA-N
Molecular Weight 481.117 g/mol
SMILES CCC(C(OCCCCCCCCCCCCCC)=O)(C(OCC1=CC(=CC=C1)Cl)=O)CC