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Isophthalic acid, pentachlorophenyl pentyl ester

View entire compound with spectra: 1 NMR

Isophthalic acid, pentachlorophenyl pentyl ester
SpectraBase Compound ID FhtR4rOAZr2
InChI InChI=1S/C19H15Cl5O4/c1-2-3-4-8-27-18(25)10-6-5-7-11(9-10)19(26)28-17-15(23)13(21)12(20)14(22)16(17)24/h5-7,9H,2-4,8H2,1H3
InChIKey HLZIMBQKVPWIMC-UHFFFAOYSA-N
Mol Weight 484.6 g/mol
Molecular Formula C19H15Cl5O4
Exact Mass 481.941297 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8tzUAav3WTU
Name Isophthalic acid, pentachlorophenyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 481.941297459 u
Formula C19H15Cl5O4
InChI InChI=1S/C19H15Cl5O4/c1-2-3-4-8-27-18(25)10-6-5-7-11(9-10)19(26)28-17-15(23)13(21)12(20)14(22)16(17)24/h5-7,9H,2-4,8H2,1H3
InChIKey HLZIMBQKVPWIMC-UHFFFAOYSA-N
Molecular Weight 484.590 g/mol
SMILES C1(=CC=CC(=C1)C(=O)OCCCCC)C(OC1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)=O