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

View entire compound with spectra: 1 NMR

Glutaric acid, 2-methylbenzyl 2-methylhex-3-yl ester
SpectraBase Compound ID 43hMBT8SOsE
InChI InChI=1S/C20H30O4/c1-5-9-18(15(2)3)24-20(22)13-8-12-19(21)23-14-17-11-7-6-10-16(17)4/h6-7,10-11,15,18H,5,8-9,12-14H2,1-4H3
InChIKey HZYGBMAIZAGHPN-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 4ofBOChHyMh
Name Glutaric acid, 2-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/c1-5-9-18(15(2)3)24-20(22)13-8-12-19(21)23-14-17-11-7-6-10-16(17)4/h6-7,10-11,15,18H,5,8-9,12-14H2,1-4H3
InChIKey HZYGBMAIZAGHPN-UHFFFAOYSA-N
Molecular Weight 334.456 g/mol
SMILES C(OCC=1C(C)=CC=CC1)(=O)CCCC(OC(CCC)C(C)C)=O