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Isophthalic acid, cyclopentylmethyl nonyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, cyclopentylmethyl nonyl ester
SpectraBase Compound ID 8JRxiNkHhz4
InChI InChI=1S/C23H34O4/c1-2-3-4-5-6-7-10-16-26-22(24)20-14-11-15-21(17-20)23(25)27-18-19-12-8-9-13-19/h11,14-15,17,19H,2-10,12-13,16,18H2,1H3
InChIKey VXVGJGITUUCVTO-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 HM5JWL0muxv
Name Isophthalic acid, cyclopentylmethyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 374.245709571 u
Formula C23H34O4
InChI InChI=1S/C23H34O4/c1-2-3-4-5-6-7-10-16-26-22(24)20-14-11-15-21(17-20)23(25)27-18-19-12-8-9-13-19/h11,14-15,17,19H,2-10,12-13,16,18H2,1H3
InChIKey VXVGJGITUUCVTO-UHFFFAOYSA-N
Molecular Weight 374.521 g/mol
SMILES C1CCCC1COC(C1=CC(=CC=C1)C(OCCCCCCCCC)=O)=O