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Terephthalic acid, 2-chloropropyl tetradecyl ester

View entire compound with spectra: 1 NMR

Terephthalic acid, 2-chloropropyl tetradecyl ester
SpectraBase Compound ID AR77MZ2AlGd
InChI InChI=1S/C25H39ClO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-19-29-24(27)22-15-17-23(18-16-22)25(28)30-20-21(2)26/h15-18,21H,3-14,19-20H2,1-2H3
InChIKey ICZTVBPGIRXLPB-UHFFFAOYSA-N
Mol Weight 439.0 g/mol
Molecular Formula C25H39ClO4
Exact Mass 438.253687 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9FYVJFYG92f
Name Terephthalic acid, 2-chloropropyl tetradecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 438.253687432 u
Formula C25H39ClO4
InChI InChI=1S/C25H39ClO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-19-29-24(27)22-15-17-23(18-16-22)25(28)30-20-21(2)26/h15-18,21H,3-14,19-20H2,1-2H3
InChIKey ICZTVBPGIRXLPB-UHFFFAOYSA-N
Molecular Weight 439.036 g/mol
SMILES C1=C(C=CC(=C1)C(OCC(C)Cl)=O)C(OCCCCCCCCCCCCCC)=O