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Terephthalic acid, 2-chloropropyl pentadecyl ester

View entire compound with spectra: 1 NMR

Terephthalic acid, 2-chloropropyl pentadecyl ester
SpectraBase Compound ID Ch6ashN7bt4
InChI InChI=1S/C26H41ClO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-30-25(28)23-16-18-24(19-17-23)26(29)31-21-22(2)27/h16-19,22H,3-15,20-21H2,1-2H3
InChIKey ZPXCFBKQDGASQP-UHFFFAOYSA-N
Mol Weight 453.1 g/mol
Molecular Formula C26H41ClO4
Exact Mass 452.269337 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4nZTAuX1NVe
Name Terephthalic acid, 2-chloropropyl pentadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 452.269337496 u
Formula C26H41ClO4
InChI InChI=1S/C26H41ClO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-20-30-25(28)23-16-18-24(19-17-23)26(29)31-21-22(2)27/h16-19,22H,3-15,20-21H2,1-2H3
InChIKey ZPXCFBKQDGASQP-UHFFFAOYSA-N
Molecular Weight 453.063 g/mol
SMILES C1=C(C=CC(=C1)C(OCC(C)Cl)=O)C(OCCCCCCCCCCCCCCC)=O