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Glutaric acid, 3-bromobenzyl 2-methylhex-3-yl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 3-bromobenzyl 2-methylhex-3-yl ester
SpectraBase Compound ID H9wa5VLmUbF
InChI InChI=1S/C19H27BrO4/c1-4-7-17(14(2)3)24-19(22)11-6-10-18(21)23-13-15-8-5-9-16(20)12-15/h5,8-9,12,14,17H,4,6-7,10-11,13H2,1-3H3
InChIKey CXPQZBHXXZELEQ-UHFFFAOYSA-N
Mol Weight 399.33 g/mol
Molecular Formula C19H27BrO4
Exact Mass 398.109272 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KieINdmlTZu
Name Glutaric acid, 3-bromobenzyl 2-methylhex-3-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 398.109272345 u
Formula C19H27BrO4
InChI InChI=1S/C19H27BrO4/c1-4-7-17(14(2)3)24-19(22)11-6-10-18(21)23-13-15-8-5-9-16(20)12-15/h5,8-9,12,14,17H,4,6-7,10-11,13H2,1-3H3
InChIKey CXPQZBHXXZELEQ-UHFFFAOYSA-N
Molecular Weight 399.325 g/mol
SMILES C(OCC1=CC(=CC=C1)Br)(=O)CCCC(OC(CCC)C(C)C)=O