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Glutaric acid, 2-(4-bromophenyl)ethyl 2-methylhex-3-yl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 2-(4-bromophenyl)ethyl 2-methylhex-3-yl ester
SpectraBase Compound ID Kkcl91e1wwy
InChI InChI=1S/C20H29BrO4/c1-4-6-18(15(2)3)25-20(23)8-5-7-19(22)24-14-13-16-9-11-17(21)12-10-16/h9-12,15,18H,4-8,13-14H2,1-3H3
InChIKey HVPLQJZZZQMURK-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 8oUYVvJ4EFC
Name Glutaric acid, 2-(4-bromophenyl)ethyl 2-methylhex-3-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 412.124922410 u
Formula C20H29BrO4
InChI InChI=1S/C20H29BrO4/c1-4-6-18(15(2)3)25-20(23)8-5-7-19(22)24-14-13-16-9-11-17(21)12-10-16/h9-12,15,18H,4-8,13-14H2,1-3H3
InChIKey HVPLQJZZZQMURK-UHFFFAOYSA-N
Molecular Weight 413.352 g/mol
SMILES C(OCCC1=CC=C(C=C1)Br)(=O)CCCC(OC(CCC)C(C)C)=O