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Phthalic acid, 4-chloro-3-methylphenyl undecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 4-chloro-3-methylphenyl undecyl ester
SpectraBase Compound ID 1Z7GYTuM4xr
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)31-21-16-17-24(27)20(2)19-21/h11-12,14-17,19H,3-10,13,18H2,1-2H3
InChIKey TUXMJOOLPHMCGB-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 D9td6rybzZN
Name Phthalic acid, 4-chloro-3-methylphenyl undecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
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)31-21-16-17-24(27)20(2)19-21/h11-12,14-17,19H,3-10,13,18H2,1-2H3
InChIKey TUXMJOOLPHMCGB-UHFFFAOYSA-N
Molecular Weight 444.999 g/mol
SMILES C1(=C(C=CC(=C1)OC(C1=C(C(OCCCCCCCCCCC)=O)C=CC=C1)=O)Cl)C