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Sebacic acid, 4-chloro-3-methylphenyl heptyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 4-chloro-3-methylphenyl heptyl ester
SpectraBase Compound ID DrGVHbEgdDq
InChI InChI=1S/C24H37ClO4/c1-3-4-5-10-13-18-28-23(26)14-11-8-6-7-9-12-15-24(27)29-21-16-17-22(25)20(2)19-21/h16-17,19H,3-15,18H2,1-2H3
InChIKey NNYMJMNJHWVVLC-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 CKEZpYN3SMn
Name Sebacic acid, 4-chloro-3-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)29-21-16-17-22(25)20(2)19-21/h16-17,19H,3-15,18H2,1-2H3
InChIKey NNYMJMNJHWVVLC-UHFFFAOYSA-N
Molecular Weight 425.009 g/mol
SMILES C(CCCCCCC(OC1=CC(C)=C(C=C1)Cl)=O)CC(OCCCCCCC)=O