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Sebacic acid, 2,6-dichlorophenyl pentadecyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 2,6-dichlorophenyl pentadecyl ester
SpectraBase Compound ID ChvXTXK1DGl
InChI InChI=1S/C31H50Cl2O4/c1-2-3-4-5-6-7-8-9-10-11-14-17-20-26-36-29(34)24-18-15-12-13-16-19-25-30(35)37-31-27(32)22-21-23-28(31)33/h21-23H,2-20,24-26H2,1H3
InChIKey HHYMTNDRQVAUKH-UHFFFAOYSA-N
Mol Weight 557.6 g/mol
Molecular Formula C31H50Cl2O4
Exact Mass 556.308615 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID usfmD5FoYV
Name Sebacic acid, 2,6-dichlorophenyl pentadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 556.308615486 u
Formula C31H50Cl2O4
InChI InChI=1S/C31H50Cl2O4/c1-2-3-4-5-6-7-8-9-10-11-14-17-20-26-36-29(34)24-18-15-12-13-16-19-25-30(35)37-31-27(32)22-21-23-28(31)33/h21-23H,2-20,24-26H2,1H3
InChIKey HHYMTNDRQVAUKH-UHFFFAOYSA-N
Molecular Weight 557.643 g/mol
SMILES C(CCCCCCC(OC1=C(C=CC=C1Cl)Cl)=O)CC(OCCCCCCCCCCCCCCC)=O