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Sebacic acid, 4-chloro-2-methylphenyl nonyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 4-chloro-2-methylphenyl nonyl ester
SpectraBase Compound ID ABzO8mBIJiC
InChI InChI=1S/C26H41ClO4/c1-3-4-5-6-9-12-15-20-30-25(28)16-13-10-7-8-11-14-17-26(29)31-24-19-18-23(27)21-22(24)2/h18-19,21H,3-17,20H2,1-2H3
InChIKey HZSVZFHECJDKND-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 LDPG2rMJCWO
Name Sebacic acid, 4-chloro-2-methylphenyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 452.269337496 u
Formula C26H41ClO4
InChI InChI=1S/C26H41ClO4/c1-3-4-5-6-9-12-15-20-30-25(28)16-13-10-7-8-11-14-17-26(29)31-24-19-18-23(27)21-22(24)2/h18-19,21H,3-17,20H2,1-2H3
InChIKey HZSVZFHECJDKND-UHFFFAOYSA-N
Molecular Weight 453.063 g/mol
SMILES C(C(OC=1C(C)=CC(=CC1)Cl)=O)CCCCCCCC(OCCCCCCCCC)=O