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

View entire compound with spectra: 1 NMR

Glutaric acid, 2-(3-bromophenyl)ethyl 2-methylhex-3-yl ester
SpectraBase Compound ID CkPqs3rWTga
InChI InChI=1S/C20H29BrO4/c1-4-7-18(15(2)3)25-20(23)11-6-10-19(22)24-13-12-16-8-5-9-17(21)14-16/h5,8-9,14-15,18H,4,6-7,10-13H2,1-3H3
InChIKey VGYVRGQVRCFKDX-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 Hwt34w6ZWBA
Name Glutaric acid, 2-(3-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/c1-4-7-18(15(2)3)25-20(23)11-6-10-19(22)24-13-12-16-8-5-9-17(21)14-16/h5,8-9,14-15,18H,4,6-7,10-13H2,1-3H3
InChIKey VGYVRGQVRCFKDX-UHFFFAOYSA-N
Molecular Weight 413.352 g/mol
SMILES C(OCCC1=CC=CC(=C1)Br)(=O)CCCC(OC(CCC)C(C)C)=O