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Phthalic acid, 2-(4-chlorophenoxy)ethyl decyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-(4-chlorophenoxy)ethyl decyl ester
SpectraBase Compound ID DTVlEN3W5zs
InChI InChI=1S/C26H33ClO5/c1-2-3-4-5-6-7-8-13-18-31-25(28)21-14-9-10-15-22(21)26(29)32-20-19-30-24-17-12-11-16-23(24)27/h9-12,14-17H,2-8,13,18-20H2,1H3
InChIKey SMPUWWFFERKOEJ-UHFFFAOYSA-N
Mol Weight 461.0 g/mol
Molecular Formula C26H33ClO5
Exact Mass 460.201652 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3lMGtcqDlWW
Name Phthalic acid, 2-(4-chlorophenoxy)ethyl decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 460.201651858 u
Formula C26H33ClO5
InChI InChI=1S/C26H33ClO5/c1-2-3-4-5-6-7-8-13-18-31-25(28)21-14-9-10-15-22(21)26(29)32-20-19-30-24-17-12-11-16-23(24)27/h9-12,14-17H,2-8,13,18-20H2,1H3
InChIKey SMPUWWFFERKOEJ-UHFFFAOYSA-N
Molecular Weight 460.998 g/mol
SMILES C(C1=CC=CC=C1C(OCCOC1=CC=CC=C1Cl)=O)(OCCCCCCCCCC)=O