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

View entire compound with spectra: 1 NMR

Glutaric acid, 3-methylbenzyl 2-methylhex-3-yl ester
SpectraBase Compound ID 5MvwhKJap4q
InChI InChI=1S/C20H30O4/c1-5-8-18(15(2)3)24-20(22)12-7-11-19(21)23-14-17-10-6-9-16(4)13-17/h6,9-10,13,15,18H,5,7-8,11-12,14H2,1-4H3
InChIKey KIPGTFUGDVLJJI-UHFFFAOYSA-N
Mol Weight 334.46 g/mol
Molecular Formula C20H30O4
Exact Mass 334.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3kQeUw83Lif
Name Glutaric acid, 3-methylbenzyl 2-methylhex-3-yl ester
Comments Computed using HOSE algorithm
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Exact Mass 334.214409442 u
Formula C20H30O4
InChI InChI=1S/C20H30O4/c1-5-8-18(15(2)3)24-20(22)12-7-11-19(21)23-14-17-10-6-9-16(4)13-17/h6,9-10,13,15,18H,5,7-8,11-12,14H2,1-4H3
InChIKey KIPGTFUGDVLJJI-UHFFFAOYSA-N
Molecular Weight 334.456 g/mol
SMILES C(OCC1=CC(=CC=C1)C)(=O)CCCC(OC(CCC)C(C)C)=O