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Diethylmalonic acid, 4-bromophenyl tetradecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 4-bromophenyl tetradecyl ester
SpectraBase Compound ID 2y4riDA8XRV
InChI InChI=1S/C27H43BrO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-22-31-25(29)27(5-2,6-3)26(30)32-24-20-18-23(28)19-21-24/h18-21H,4-17,22H2,1-3H3
InChIKey VQZFIZJTFGOPCJ-UHFFFAOYSA-N
Mol Weight 511.5 g/mol
Molecular Formula C27H43BrO4
Exact Mass 510.234473 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LQTjfPVmZ2J
Name Diethylmalonic acid, 4-bromophenyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 510.234472861 u
Formula C27H43BrO4
InChI InChI=1S/C27H43BrO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-22-31-25(29)27(5-2,6-3)26(30)32-24-20-18-23(28)19-21-24/h18-21H,4-17,22H2,1-3H3
InChIKey VQZFIZJTFGOPCJ-UHFFFAOYSA-N
Molecular Weight 511.541 g/mol
SMILES CCC(C(OCCCCCCCCCCCCCC)=O)(C(OC1=CC=C(C=C1)Br)=O)CC