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Adipic acid, 8-chloroctyl octadecyl ester

View entire compound with spectra: 1 NMR

Adipic acid, 8-chloroctyl octadecyl ester
SpectraBase Compound ID Dj4kPDUFuMl
InChI InChI=1S/C32H61ClO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-24-29-36-31(34)26-21-22-27-32(35)37-30-25-20-17-15-18-23-28-33/h2-30H2,1H3
InChIKey RZNCOYBKFZZEGV-UHFFFAOYSA-N
Mol Weight 545.3 g/mol
Molecular Formula C32H61ClO4
Exact Mass 544.425838 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FWJvcoNolcV
Name Adipic acid, 8-chloroctyl octadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 544.425838140 u
Formula C32H61ClO4
InChI InChI=1S/C32H61ClO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-24-29-36-31(34)26-21-22-27-32(35)37-30-25-20-17-15-18-23-28-33/h2-30H2,1H3
InChIKey RZNCOYBKFZZEGV-UHFFFAOYSA-N
Molecular Weight 545.289 g/mol
SMILES C(OCCCCCCCCCl)(CCCCC(OCCCCCCCCCCCCCCCCCC)=O)=O