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Terephthalic acid, 2-chloropropyl octyl ester
SpectraBase Compound ID g3n1vBbWQr
InChI InChI=1S/C19H27ClO4/c1-3-4-5-6-7-8-13-23-18(21)16-9-11-17(12-10-16)19(22)24-14-15(2)20/h9-12,15H,3-8,13-14H2,1-2H3
InChIKey XWNHHXTXZUNDBD-UHFFFAOYSA-N
Mol Weight 354.87 g/mol
Molecular Formula C19H27ClO4
Exact Mass 354.159787 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jv0Wm24YS8E
Name Terephthalic acid, 2-chloropropyl octyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 354.159787045 u
Formula C19H27ClO4
InChI InChI=1S/C19H27ClO4/c1-3-4-5-6-7-8-13-23-18(21)16-9-11-17(12-10-16)19(22)24-14-15(2)20/h9-12,15H,3-8,13-14H2,1-2H3
InChIKey XWNHHXTXZUNDBD-UHFFFAOYSA-N
Molecular Weight 354.874 g/mol
SMILES C1=C(C=CC(=C1)C(OCC(C)Cl)=O)C(OCCCCCCCC)=O