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Isophthalic acid, cyclopentylmethyl undecyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, cyclopentylmethyl undecyl ester
SpectraBase Compound ID FKsCckJSXd2
InChI InChI=1S/C25H38O4/c1-2-3-4-5-6-7-8-9-12-18-28-24(26)22-16-13-17-23(19-22)25(27)29-20-21-14-10-11-15-21/h13,16-17,19,21H,2-12,14-15,18,20H2,1H3
InChIKey ISZQACIILORHQW-UHFFFAOYSA-N
Mol Weight 402.6 g/mol
Molecular Formula C25H38O4
Exact Mass 402.27701 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CXAIBvxLGeh
Name Isophthalic acid, cyclopentylmethyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 402.277009700 u
Formula C25H38O4
InChI InChI=1S/C25H38O4/c1-2-3-4-5-6-7-8-9-12-18-28-24(26)22-16-13-17-23(19-22)25(27)29-20-21-14-10-11-15-21/h13,16-17,19,21H,2-12,14-15,18,20H2,1H3
InChIKey ISZQACIILORHQW-UHFFFAOYSA-N
Molecular Weight 402.575 g/mol
SMILES C1CCCC1COC(C1=CC(=CC=C1)C(OCCCCCCCCCCC)=O)=O