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Sebacic acid, 2-chlorophenyl decyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 2-chlorophenyl decyl ester
SpectraBase Compound ID 2gx1RV0tS0p
InChI InChI=1S/C26H41ClO4/c1-2-3-4-5-6-9-12-17-22-30-25(28)20-13-10-7-8-11-14-21-26(29)31-24-19-16-15-18-23(24)27/h15-16,18-19H,2-14,17,20-22H2,1H3
InChIKey RWPKJOYTWQSZRY-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 G2TNSAgeaij
Name Sebacic acid, 2-chlorophenyl decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 452.269337496 u
Formula C26H41ClO4
InChI InChI=1S/C26H41ClO4/c1-2-3-4-5-6-9-12-17-22-30-25(28)20-13-10-7-8-11-14-21-26(29)31-24-19-16-15-18-23(24)27/h15-16,18-19H,2-14,17,20-22H2,1H3
InChIKey RWPKJOYTWQSZRY-UHFFFAOYSA-N
Molecular Weight 453.063 g/mol
SMILES C(CCCCCCCC(OC1=CC=CC=C1Cl)=O)C(OCCCCCCCCCC)=O