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Sebacic acid, 4-chlorophenyl decyl ester

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Sebacic acid, 4-chlorophenyl decyl ester
SpectraBase Compound ID CPzbZj4vdRL
InChI InChI=1S/C26H41ClO4/c1-2-3-4-5-6-9-12-15-22-30-25(28)16-13-10-7-8-11-14-17-26(29)31-24-20-18-23(27)19-21-24/h18-21H,2-17,22H2,1H3
InChIKey XLEHRYDIHIUJPH-UHFFFAOYSA-N
Mol Weight 453.1 g/mol
Molecular Formula C26H41ClO4
Exact Mass 452.269337 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2drNmbSPmgT
Name Sebacic acid, 4-chlorophenyl decyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 452.269337496 u
Formula C26H41ClO4
InChI InChI=1S/C26H41ClO4/c1-2-3-4-5-6-9-12-15-22-30-25(28)16-13-10-7-8-11-14-17-26(29)31-24-20-18-23(27)19-21-24/h18-21H,2-17,22H2,1H3
InChIKey XLEHRYDIHIUJPH-UHFFFAOYSA-N
Molecular Weight 453.063 g/mol
SMILES C(CCCCCCCC(OC1=CC=C(C=C1)Cl)=O)C(OCCCCCCCCCC)=O