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Phthalic acid, 4-chloro-2-methylphenyl undecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 4-chloro-2-methylphenyl undecyl ester
SpectraBase Compound ID DSsfascDziu
InChI InChI=1S/C26H33ClO4/c1-3-4-5-6-7-8-9-10-13-18-30-25(28)22-14-11-12-15-23(22)26(29)31-24-17-16-21(27)19-20(24)2/h11-12,14-17,19H,3-10,13,18H2,1-2H3
InChIKey UDBLMMCZIPWHMC-UHFFFAOYSA-N
Mol Weight 445.0 g/mol
Molecular Formula C26H33ClO4
Exact Mass 444.206737 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FLQWJeNlAbo
Name Phthalic acid, 4-chloro-2-methylphenyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 444.206737239 u
Formula C26H33ClO4
InChI InChI=1S/C26H33ClO4/c1-3-4-5-6-7-8-9-10-13-18-30-25(28)22-14-11-12-15-23(22)26(29)31-24-17-16-21(27)19-20(24)2/h11-12,14-17,19H,3-10,13,18H2,1-2H3
InChIKey UDBLMMCZIPWHMC-UHFFFAOYSA-N
Molecular Weight 444.999 g/mol
SMILES C1(=CC=CC=C1C(OC=1C(C)=CC(=CC1)Cl)=O)C(OCCCCCCCCCCC)=O