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Phthalic acid, 1-cyclopentylethyl heptyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 1-cyclopentylethyl heptyl ester
SpectraBase Compound ID IeZ8jcF14gM
InChI InChI=1S/C22H32O4/c1-3-4-5-6-11-16-25-21(23)19-14-9-10-15-20(19)22(24)26-17(2)18-12-7-8-13-18/h9-10,14-15,17-18H,3-8,11-13,16H2,1-2H3
InChIKey RXEHOYVETMUNFY-UHFFFAOYSA-N
Mol Weight 360.5 g/mol
Molecular Formula C22H32O4
Exact Mass 360.23006 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 12L2G31Rkec
Name Phthalic acid, 1-cyclopentylethyl heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 360.230059506 u
Formula C22H32O4
InChI InChI=1S/C22H32O4/c1-3-4-5-6-11-16-25-21(23)19-14-9-10-15-20(19)22(24)26-17(2)18-12-7-8-13-18/h9-10,14-15,17-18H,3-8,11-13,16H2,1-2H3
InChIKey RXEHOYVETMUNFY-UHFFFAOYSA-N
Molecular Weight 360.494 g/mol
SMILES C(OC(C1CCCC1)C)(=O)C1=CC=CC=C1C(OCCCCCCC)=O