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Sebacic acid, 4-chloro-3-methylphenyl hexyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 4-chloro-3-methylphenyl hexyl ester
SpectraBase Compound ID GDxDQY1TgKc
InChI InChI=1S/C23H35ClO4/c1-3-4-5-12-17-27-22(25)13-10-8-6-7-9-11-14-23(26)28-20-15-16-21(24)19(2)18-20/h15-16,18H,3-14,17H2,1-2H3
InChIKey OQWAANCAAKHXAV-UHFFFAOYSA-N
Mol Weight 411.0 g/mol
Molecular Formula C23H35ClO4
Exact Mass 410.222387 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ECOqVMJJEVT
Name Sebacic acid, 4-chloro-3-methylphenyl hexyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 410.222387303 u
Formula C23H35ClO4
InChI InChI=1S/C23H35ClO4/c1-3-4-5-12-17-27-22(25)13-10-8-6-7-9-11-14-23(26)28-20-15-16-21(24)19(2)18-20/h15-16,18H,3-14,17H2,1-2H3
InChIKey OQWAANCAAKHXAV-UHFFFAOYSA-N
Molecular Weight 410.982 g/mol
SMILES C(CCCCCCC(OC1=CC(C)=C(C=C1)Cl)=O)CC(OCCCCCC)=O