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Glutaric acid, cyclohexylmethyl 2-isopropylphenyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, cyclohexylmethyl 2-isopropylphenyl ester
SpectraBase Compound ID Ihexnl4J4iZ
InChI InChI=1S/C21H30O4/c1-16(2)18-11-6-7-12-19(18)25-21(23)14-8-13-20(22)24-15-17-9-4-3-5-10-17/h6-7,11-12,16-17H,3-5,8-10,13-15H2,1-2H3
InChIKey NLOFNTXSKKTZPJ-UHFFFAOYSA-N
Mol Weight 346.47 g/mol
Molecular Formula C21H30O4
Exact Mass 346.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6czdFowS75a
Name Glutaric acid, cyclohexylmethyl 2-isopropylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 346.214409442 u
Formula C21H30O4
InChI InChI=1S/C21H30O4/c1-16(2)18-11-6-7-12-19(18)25-21(23)14-8-13-20(22)24-15-17-9-4-3-5-10-17/h6-7,11-12,16-17H,3-5,8-10,13-15H2,1-2H3
InChIKey NLOFNTXSKKTZPJ-UHFFFAOYSA-N
Molecular Weight 346.467 g/mol
SMILES C(CCC(OCC1CCCCC1)=O)C(OC=1C(C(C)C)=CC=CC1)=O