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Glutaric acid, 2-methylpent-3-yl 2-propylphenyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 2-methylpent-3-yl 2-propylphenyl ester
SpectraBase Compound ID Fwum56Yb5ef
InChI InChI=1S/C20H30O4/c1-5-10-16-11-7-8-12-18(16)24-20(22)14-9-13-19(21)23-17(6-2)15(3)4/h7-8,11-12,15,17H,5-6,9-10,13-14H2,1-4H3
InChIKey DBFZTRSYVBNEBQ-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 GhWaG9BZBdc
Name Glutaric acid, 2-methylpent-3-yl 2-propylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 334.214409442 u
Formula C20H30O4
InChI InChI=1S/C20H30O4/c1-5-10-16-11-7-8-12-18(16)24-20(22)14-9-13-19(21)23-17(6-2)15(3)4/h7-8,11-12,15,17H,5-6,9-10,13-14H2,1-4H3
InChIKey DBFZTRSYVBNEBQ-UHFFFAOYSA-N
Molecular Weight 334.456 g/mol
SMILES C(CCC(OC(CC)C(C)C)=O)C(OC=1C(CCC)=CC=CC1)=O