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Glutaric acid, cyclohexylmethyl 2-propylphenyl ester

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Glutaric acid, cyclohexylmethyl 2-propylphenyl ester
SpectraBase Compound ID 4LxoolwgpkX
InChI InChI=1S/C21H30O4/c1-2-9-18-12-6-7-13-19(18)25-21(23)15-8-14-20(22)24-16-17-10-4-3-5-11-17/h6-7,12-13,17H,2-5,8-11,14-16H2,1H3
InChIKey HPKGFEUJABDEKW-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 9waA8iLCBMR
Name Glutaric acid, cyclohexylmethyl 2-propylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 346.214409442 u
Formula C21H30O4
InChI InChI=1S/C21H30O4/c1-2-9-18-12-6-7-13-19(18)25-21(23)15-8-14-20(22)24-16-17-10-4-3-5-11-17/h6-7,12-13,17H,2-5,8-11,14-16H2,1H3
InChIKey HPKGFEUJABDEKW-UHFFFAOYSA-N
Molecular Weight 346.467 g/mol
SMILES C(CCC(OCC1CCCCC1)=O)C(OC=1C(CCC)=CC=CC1)=O