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Sebacic acid, heptyl 2,4,6-trichlorophenyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, heptyl 2,4,6-trichlorophenyl ester
SpectraBase Compound ID 19GVXnFr7tO
InChI InChI=1S/C23H33Cl3O4/c1-2-3-4-9-12-15-29-21(27)13-10-7-5-6-8-11-14-22(28)30-23-19(25)16-18(24)17-20(23)26/h16-17H,2-15H2,1H3
InChIKey FQKWMILHAATARU-UHFFFAOYSA-N
Mol Weight 479.9 g/mol
Molecular Formula C23H33Cl3O4
Exact Mass 478.144443 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 40ARIiQTdaG
Name Sebacic acid, heptyl 2,4,6-trichlorophenyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 478.144442639 u
Formula C23H33Cl3O4
InChI InChI=1S/C23H33Cl3O4/c1-2-3-4-9-12-15-29-21(27)13-10-7-5-6-8-11-14-22(28)30-23-19(25)16-18(24)17-20(23)26/h16-17H,2-15H2,1H3
InChIKey FQKWMILHAATARU-UHFFFAOYSA-N
Molecular Weight 479.872 g/mol
SMILES C(C(OC1=C(C=C(C=C1Cl)Cl)Cl)=O)CCCCCCCC(OCCCCCCC)=O