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Sebacic acid, 4-chlorophenethyl heptyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 4-chlorophenethyl heptyl ester
SpectraBase Compound ID 5GYesyVQ91e
InChI InChI=1S/C25H39ClO4/c1-2-3-4-9-12-20-29-24(27)13-10-7-5-6-8-11-14-25(28)30-21-19-22-15-17-23(26)18-16-22/h15-18H,2-14,19-21H2,1H3
InChIKey WBTNVZZQRHEIEN-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 7SgwE14I3Ck
Name Sebacic acid, 4-chlorophenethyl heptyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 438.253687432 u
Formula C25H39ClO4
InChI InChI=1S/C25H39ClO4/c1-2-3-4-9-12-20-29-24(27)13-10-7-5-6-8-11-14-25(28)30-21-19-22-15-17-23(26)18-16-22/h15-18H,2-14,19-21H2,1H3
InChIKey WBTNVZZQRHEIEN-UHFFFAOYSA-N
Molecular Weight 439.036 g/mol
SMILES C(CCCCCCCC(OCCC1=CC=C(C=C1)Cl)=O)C(OCCCCCCC)=O