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Diethylmalonic acid, 4-bromophenyl pentadecyl ester

View entire compound with spectra: 1 NMR

Diethylmalonic acid, 4-bromophenyl pentadecyl ester
SpectraBase Compound ID JoPSNCRRyTX
InChI InChI=1S/C28H45BrO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-23-32-26(30)28(5-2,6-3)27(31)33-25-21-19-24(29)20-22-25/h19-22H,4-18,23H2,1-3H3
InChIKey HSOFLKBTSJNROV-UHFFFAOYSA-N
Mol Weight 525.6 g/mol
Molecular Formula C28H45BrO4
Exact Mass 524.250123 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID zU7j3Mam2G
Name Diethylmalonic acid, 4-bromophenyl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 524.250122925 u
Formula C28H45BrO4
InChI InChI=1S/C28H45BrO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-23-32-26(30)28(5-2,6-3)27(31)33-25-21-19-24(29)20-22-25/h19-22H,4-18,23H2,1-3H3
InChIKey HSOFLKBTSJNROV-UHFFFAOYSA-N
Molecular Weight 525.568 g/mol
SMILES CCC(C(OCCCCCCCCCCCCCCC)=O)(C(OC1=CC=C(C=C1)Br)=O)CC