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Phthalic acid, 1-cyclopentylethyl decyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 1-cyclopentylethyl decyl ester
SpectraBase Compound ID BWxTt8pqhLC
InChI InChI=1S/C25H38O4/c1-3-4-5-6-7-8-9-14-19-28-24(26)22-17-12-13-18-23(22)25(27)29-20(2)21-15-10-11-16-21/h12-13,17-18,20-21H,3-11,14-16,19H2,1-2H3
InChIKey ACPUZNWOOHVGKZ-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 DdkydhamNnV
Name Phthalic acid, 1-cyclopentylethyl decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 402.277009700 u
Formula C25H38O4
InChI InChI=1S/C25H38O4/c1-3-4-5-6-7-8-9-14-19-28-24(26)22-17-12-13-18-23(22)25(27)29-20(2)21-15-10-11-16-21/h12-13,17-18,20-21H,3-11,14-16,19H2,1-2H3
InChIKey ACPUZNWOOHVGKZ-UHFFFAOYSA-N
Molecular Weight 402.575 g/mol
SMILES C(OC(C1CCCC1)C)(=O)C1=CC=CC=C1C(OCCCCCCCCCC)=O