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Phthalic acid, 1-cyclopentylethyl isohexyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 1-cyclopentylethyl isohexyl ester
SpectraBase Compound ID CWrPmjRmZbB
InChI InChI=1S/C21H30O4/c1-15(2)9-8-14-24-20(22)18-12-6-7-13-19(18)21(23)25-16(3)17-10-4-5-11-17/h6-7,12-13,15-17H,4-5,8-11,14H2,1-3H3
InChIKey PULZWSLAYNFWPT-UHFFFAOYSA-N
Mol Weight 346.47 g/mol
Molecular Formula C21H30O4
Exact Mass 346.214409 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GKHe3cgHiuY
Name Phthalic acid, 1-cyclopentylethyl isohexyl ester
Comments Computed using HOSE algorithm
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Exact Mass 346.214409442 u
Formula C21H30O4
InChI InChI=1S/C21H30O4/c1-15(2)9-8-14-24-20(22)18-12-6-7-13-19(18)21(23)25-16(3)17-10-4-5-11-17/h6-7,12-13,15-17H,4-5,8-11,14H2,1-3H3
InChIKey PULZWSLAYNFWPT-UHFFFAOYSA-N
Molecular Weight 346.467 g/mol
SMILES C(C1CCCC1)(OC(=O)C1=CC=CC=C1C(OCCCC(C)C)=O)C