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Phthalic acid, 2-(3-chlorophenyl)ethyl dodecyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-(3-chlorophenyl)ethyl dodecyl ester
SpectraBase Compound ID Ai9uth2gFb7
InChI InChI=1S/C28H37ClO4/c1-2-3-4-5-6-7-8-9-10-13-20-32-27(30)25-17-11-12-18-26(25)28(31)33-21-19-23-15-14-16-24(29)22-23/h11-12,14-18,22H,2-10,13,19-21H2,1H3
InChIKey ZZHRZGJDOMXEBB-UHFFFAOYSA-N
Mol Weight 473.1 g/mol
Molecular Formula C28H37ClO4
Exact Mass 472.238037 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IhWdB4WlO39
Name Phthalic acid, 2-(3-chlorophenyl)ethyl dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 472.238037367 u
Formula C28H37ClO4
InChI InChI=1S/C28H37ClO4/c1-2-3-4-5-6-7-8-9-10-13-20-32-27(30)25-17-11-12-18-26(25)28(31)33-21-19-23-15-14-16-24(29)22-23/h11-12,14-18,22H,2-10,13,19-21H2,1H3
InChIKey ZZHRZGJDOMXEBB-UHFFFAOYSA-N
Molecular Weight 473.053 g/mol
SMILES C(C1=CC=CC=C1C(OCCC1=CC=CC(=C1)Cl)=O)(OCCCCCCCCCCCC)=O