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Pimelic acid, heptyl 2-isopropylphenyl ester

View entire compound with spectra: 1 NMR

Pimelic acid, heptyl 2-isopropylphenyl ester
SpectraBase Compound ID 2XZ6LTALdMw
InChI InChI=1S/C23H36O4/c1-4-5-6-7-13-18-26-22(24)16-9-8-10-17-23(25)27-21-15-12-11-14-20(21)19(2)3/h11-12,14-15,19H,4-10,13,16-18H2,1-3H3
InChIKey SBEGUXQWMNDYQN-UHFFFAOYSA-N
Mol Weight 376.5 g/mol
Molecular Formula C23H36O4
Exact Mass 376.26136 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KhHuz765Jw9
Name Pimelic acid, heptyl 2-isopropylphenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 376.261359635 u
Formula C23H36O4
InChI InChI=1S/C23H36O4/c1-4-5-6-7-13-18-26-22(24)16-9-8-10-17-23(25)27-21-15-12-11-14-20(21)19(2)3/h11-12,14-15,19H,4-10,13,16-18H2,1-3H3
InChIKey SBEGUXQWMNDYQN-UHFFFAOYSA-N
Molecular Weight 376.537 g/mol
SMILES C(CCCC(OCCCCCCC)=O)CC(OC1=CC=CC=C1C(C)C)=O