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Glutaric acid, hept-2-yl 2-isopropylphenyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, hept-2-yl 2-isopropylphenyl ester
SpectraBase Compound ID Gc3B5p7RDHR
InChI InChI=1S/C21H32O4/c1-5-6-7-11-17(4)24-20(22)14-10-15-21(23)25-19-13-9-8-12-18(19)16(2)3/h8-9,12-13,16-17H,5-7,10-11,14-15H2,1-4H3
InChIKey ZTIKZJKBMWGPAS-UHFFFAOYSA-N
Mol Weight 348.5 g/mol
Molecular Formula C21H32O4
Exact Mass 348.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jo8Ct6wJ7xU
Name Glutaric acid, hept-2-yl 2-isopropylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 348.230059506 u
Formula C21H32O4
InChI InChI=1S/C21H32O4/c1-5-6-7-11-17(4)24-20(22)14-10-15-21(23)25-19-13-9-8-12-18(19)16(2)3/h8-9,12-13,16-17H,5-7,10-11,14-15H2,1-4H3
InChIKey ZTIKZJKBMWGPAS-UHFFFAOYSA-N
Molecular Weight 348.483 g/mol
SMILES C(CCC(OC(C)CCCCC)=O)C(OC=1C(C(C)C)=CC=CC1)=O