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Isophthalic acid, pentyl 4-tert-butylcyclohexyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, pentyl 4-tert-butylcyclohexyl ester
SpectraBase Compound ID E5bypnAnYC8
InChI InChI=1S/C23H34O4/c1-5-6-7-15-26-21(24)17-9-8-10-18(16-17)22(25)27-20-13-11-19(12-14-20)23(2,3)4/h8-10,16,19-20H,5-7,11-15H2,1-4H3
InChIKey WGLQALFWNHMGMD-UHFFFAOYSA-N
Mol Weight 374.5 g/mol
Molecular Formula C23H34O4
Exact Mass 374.24571 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KiraK4elU5z
Name Isophthalic acid, pentyl 4-tert-butylcyclohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 374.245709571 u
Formula C23H34O4
InChI InChI=1S/C23H34O4/c1-5-6-7-15-26-21(24)17-9-8-10-18(16-17)22(25)27-20-13-11-19(12-14-20)23(2,3)4/h8-10,16,19-20H,5-7,11-15H2,1-4H3
InChIKey WGLQALFWNHMGMD-UHFFFAOYSA-N
Molecular Weight 374.521 g/mol
SMILES C(C1CCC(CC1)OC(C1=CC(=CC=C1)C(OCCCCC)=O)=O)(C)(C)C