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Isophthalic acid, 8-chloroctyl octyl ester

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Isophthalic acid, 8-chloroctyl octyl ester
SpectraBase Compound ID BvfdiSdZCiB
InChI InChI=1S/C24H37ClO4/c1-2-3-4-5-9-12-18-28-23(26)21-15-14-16-22(20-21)24(27)29-19-13-10-7-6-8-11-17-25/h14-16,20H,2-13,17-19H2,1H3
InChIKey MFQVMADHNGBBSN-UHFFFAOYSA-N
Mol Weight 425.0 g/mol
Molecular Formula C24H37ClO4
Exact Mass 424.238037 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Cv8xCdgb1xF
Name Isophthalic acid, 8-chloroctyl octyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 424.238037367 u
Formula C24H37ClO4
InChI InChI=1S/C24H37ClO4/c1-2-3-4-5-9-12-18-28-23(26)21-15-14-16-22(20-21)24(27)29-19-13-10-7-6-8-11-17-25/h14-16,20H,2-13,17-19H2,1H3
InChIKey MFQVMADHNGBBSN-UHFFFAOYSA-N
Molecular Weight 425.009 g/mol
SMILES C1=CC(=CC(=C1)C(=O)OCCCCCCCC)C(OCCCCCCCCCl)=O