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Sebacic acid, 2-chloro-5-methylphenyl decyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 2-chloro-5-methylphenyl decyl ester
SpectraBase Compound ID LZbC3tyb7Ch
InChI InChI=1S/C27H43ClO4/c1-3-4-5-6-7-10-13-16-21-31-26(29)17-14-11-8-9-12-15-18-27(30)32-25-22-23(2)19-20-24(25)28/h19-20,22H,3-18,21H2,1-2H3
InChIKey VKRHUXOVQTXJPO-UHFFFAOYSA-N
Mol Weight 467.1 g/mol
Molecular Formula C27H43ClO4
Exact Mass 466.284988 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EZDzhsgCcoV
Name Sebacic acid, 2-chloro-5-methylphenyl decyl ester
Comments Computed using HOSE algorithm
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Exact Mass 466.284987561 u
Formula C27H43ClO4
InChI InChI=1S/C27H43ClO4/c1-3-4-5-6-7-10-13-16-21-31-26(29)17-14-11-8-9-12-15-18-27(30)32-25-22-23(2)19-20-24(25)28/h19-20,22H,3-18,21H2,1-2H3
InChIKey VKRHUXOVQTXJPO-UHFFFAOYSA-N
Molecular Weight 467.090 g/mol
SMILES C(CCCC(OC1=CC(C)=CC=C1Cl)=O)CCCCC(OCCCCCCCCCC)=O