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

View entire compound with spectra: 1 NMR

Phthalic acid, 4-chloro-3-methylphenyl decyl ester
SpectraBase Compound ID HOtfc6GIozp
InChI InChI=1S/C25H31ClO4/c1-3-4-5-6-7-8-9-12-17-29-24(27)21-13-10-11-14-22(21)25(28)30-20-15-16-23(26)19(2)18-20/h10-11,13-16,18H,3-9,12,17H2,1-2H3
InChIKey FTMDHBCBXULIGE-UHFFFAOYSA-N
Mol Weight 430.97 g/mol
Molecular Formula C25H31ClO4
Exact Mass 430.191087 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E5XP4i1HMHg
Name Phthalic acid, 4-chloro-3-methylphenyl decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 430.191087174 u
Formula C25H31ClO4
InChI InChI=1S/C25H31ClO4/c1-3-4-5-6-7-8-9-12-17-29-24(27)21-13-10-11-14-22(21)25(28)30-20-15-16-23(26)19(2)18-20/h10-11,13-16,18H,3-9,12,17H2,1-2H3
InChIKey FTMDHBCBXULIGE-UHFFFAOYSA-N
Molecular Weight 430.972 g/mol
SMILES CCCCCCCCCCOC(C1=C(C(OC2=CC=C(C(=C2)C)Cl)=O)C=CC=C1)=O