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Succinic acid, 4-bromophenethyl pentadecyl ester

View entire compound with spectra: 1 NMR

Succinic acid, 4-bromophenethyl pentadecyl ester
SpectraBase Compound ID Kv7awW7gIDg
InChI InChI=1S/C27H43BrO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-22-31-26(29)19-20-27(30)32-23-21-24-15-17-25(28)18-16-24/h15-18H,2-14,19-23H2,1H3
InChIKey JWSCSIBYDPLPQO-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 CoHklCZFyG0
Name Succinic acid, 4-bromophenethyl pentadecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 510.234472861 u
Formula C27H43BrO4
InChI InChI=1S/C27H43BrO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-22-31-26(29)19-20-27(30)32-23-21-24-15-17-25(28)18-16-24/h15-18H,2-14,19-23H2,1H3
InChIKey JWSCSIBYDPLPQO-UHFFFAOYSA-N
Molecular Weight 511.541 g/mol
SMILES C(CCC(OCCC1=CC=C(C=C1)Br)=O)(OCCCCCCCCCCCCCCC)=O