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Succinic acid, 4-bromophenethyl octyl ester
SpectraBase Compound ID Cp6Qjl8m0W3
InChI InChI=1S/C20H29BrO4/c1-2-3-4-5-6-7-15-24-19(22)12-13-20(23)25-16-14-17-8-10-18(21)11-9-17/h8-11H,2-7,12-16H2,1H3
InChIKey XRKUXKKLBLTNRJ-UHFFFAOYSA-N
Mol Weight 413.35 g/mol
Molecular Formula C20H29BrO4
Exact Mass 412.124922 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8KpU2e5VBao
Name Succinic acid, 4-bromophenethyl octyl ester
Comments Computed using HOSE algorithm
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Exact Mass 412.124922410 u
Formula C20H29BrO4
InChI InChI=1S/C20H29BrO4/c1-2-3-4-5-6-7-15-24-19(22)12-13-20(23)25-16-14-17-8-10-18(21)11-9-17/h8-11H,2-7,12-16H2,1H3
InChIKey XRKUXKKLBLTNRJ-UHFFFAOYSA-N
Molecular Weight 413.352 g/mol
SMILES C(CCC(OCCC1=CC=C(C=C1)Br)=O)(OCCCCCCCC)=O