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

View entire compound with spectra: 1 NMR

Sebacic acid, 4-chloro-2-methylphenyl heptyl ester
SpectraBase Compound ID 4jJZrbJ4W6e
InChI InChI=1S/C24H37ClO4/c1-3-4-5-10-13-18-28-23(26)14-11-8-6-7-9-12-15-24(27)29-22-17-16-21(25)19-20(22)2/h16-17,19H,3-15,18H2,1-2H3
InChIKey NWXZCXYLNLDMJM-UHFFFAOYSA-N
Mol Weight 425.0 g/mol
Molecular Formula C24H37ClO4
Exact Mass 424.238037 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IfG7fZqKX2u
Name Sebacic acid, 4-chloro-2-methylphenyl heptyl ester
Comments Computed using HOSE algorithm
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Exact Mass 424.238037367 u
Formula C24H37ClO4
InChI InChI=1S/C24H37ClO4/c1-3-4-5-10-13-18-28-23(26)14-11-8-6-7-9-12-15-24(27)29-22-17-16-21(25)19-20(22)2/h16-17,19H,3-15,18H2,1-2H3
InChIKey NWXZCXYLNLDMJM-UHFFFAOYSA-N
Molecular Weight 425.009 g/mol
SMILES C(C(OC=1C(C)=CC(=CC1)Cl)=O)CCCCCCCC(OCCCCCCC)=O