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Phthalic acid, 2,4,5-trichlorophenyl undecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2,4,5-trichlorophenyl undecyl ester
SpectraBase Compound ID AiVu3ZGyVUO
InChI InChI=1S/C25H29Cl3O4/c1-2-3-4-5-6-7-8-9-12-15-31-24(29)18-13-10-11-14-19(18)25(30)32-23-17-21(27)20(26)16-22(23)28/h10-11,13-14,16-17H,2-9,12,15H2,1H3
InChIKey FRYUVXZNXHRGHE-UHFFFAOYSA-N
Mol Weight 499.86 g/mol
Molecular Formula C25H29Cl3O4
Exact Mass 498.113143 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IbhmZJy8toD
Name Phthalic acid, 2,4,5-trichlorophenyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 498.113142510 u
Formula C25H29Cl3O4
InChI InChI=1S/C25H29Cl3O4/c1-2-3-4-5-6-7-8-9-12-15-31-24(29)18-13-10-11-14-19(18)25(30)32-23-17-21(27)20(26)16-22(23)28/h10-11,13-14,16-17H,2-9,12,15H2,1H3
InChIKey FRYUVXZNXHRGHE-UHFFFAOYSA-N
Molecular Weight 499.862 g/mol
SMILES C1(=CC=CC=C1C(OCCCCCCCCCCC)=O)C(OC1=C(C=C(C(=C1)Cl)Cl)Cl)=O