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

View entire compound with spectra: 1 NMR

Glutaric acid, 3-chlorobenzyl 2-methylhex-3-yl ester
SpectraBase Compound ID DNR25X3aMc0
InChI InChI=1S/C19H27ClO4/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 KIHXOAVGPRMQLG-UHFFFAOYSA-N
Mol Weight 354.87 g/mol
Molecular Formula C19H27ClO4
Exact Mass 354.159787 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6SUhdZhqQyq
Name Glutaric acid, 3-chlorobenzyl 2-methylhex-3-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 354.159787045 u
Formula C19H27ClO4
InChI InChI=1S/C19H27ClO4/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 KIHXOAVGPRMQLG-UHFFFAOYSA-N
Molecular Weight 354.874 g/mol
SMILES C(OCC1=CC=CC(=C1)Cl)(=O)CCCC(OC(CCC)C(C)C)=O