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Isophthalic acid, di(2-methylcyclohexyl) ester

View entire compound with spectra: 1 NMR

Isophthalic acid, di(2-methylcyclohexyl) ester
SpectraBase Compound ID Hbp9yjERhlC
InChI InChI=1S/C22H30O4/c1-15-8-3-5-12-19(15)25-21(23)17-10-7-11-18(14-17)22(24)26-20-13-6-4-9-16(20)2/h7,10-11,14-16,19-20H,3-6,8-9,12-13H2,1-2H3
InChIKey HCBFNDXUODMGQK-UHFFFAOYSA-N
Mol Weight 358.48 g/mol
Molecular Formula C22H30O4
Exact Mass 358.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3kh84g7sNN3
Name Isophthalic acid, di(2-methylcyclohexyl) ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 358.214409442 u
Formula C22H30O4
InChI InChI=1S/C22H30O4/c1-15-8-3-5-12-19(15)25-21(23)17-10-7-11-18(14-17)22(24)26-20-13-6-4-9-16(20)2/h7,10-11,14-16,19-20H,3-6,8-9,12-13H2,1-2H3
InChIKey HCBFNDXUODMGQK-UHFFFAOYSA-N
Molecular Weight 358.478 g/mol
SMILES C1CC(C(CC1)OC(C1=CC(=CC=C1)C(OC1C(C)CCCC1)=O)=O)C