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Fumaric acid, 4-bromobenzyl undecyl ester

View entire compound with spectra: 1 NMR

Fumaric acid, 4-bromobenzyl undecyl ester
SpectraBase Compound ID B8PD4UkX8Dr
InChI InChI=1S/C22H31BrO4/c1-2-3-4-5-6-7-8-9-10-17-26-21(24)15-16-22(25)27-18-19-11-13-20(23)14-12-19/h11-16H,2-10,17-18H2,1H3/b16-15+
InChIKey JGPRDCRSYUIWQC-FOCLMDBBSA-N
Mol Weight 439.39 g/mol
Molecular Formula C22H31BrO4
Exact Mass 438.140572 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6ysXmoiplFu
Name Fumaric acid, 4-bromobenzyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 438.140572474 u
Formula C22H31BrO4
InChI InChI=1S/C22H31BrO4/c1-2-3-4-5-6-7-8-9-10-17-26-21(24)15-16-22(25)27-18-19-11-13-20(23)14-12-19/h11-16H,2-10,17-18H2,1H3/b16-15+
InChIKey JGPRDCRSYUIWQC-FOCLMDBBSA-N
Molecular Weight 439.390 g/mol
SMILES C(CCCOC(\C=C\C(OCC1=CC=C(C=C1)Br)=O)=O)CCCCCCC