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Sebacic acid, 2-chlorophenyl dodecyl ester

View entire compound with spectra: 1 NMR

Sebacic acid, 2-chlorophenyl dodecyl ester
SpectraBase Compound ID 4PMIaA9hqhZ
InChI InChI=1S/C28H45ClO4/c1-2-3-4-5-6-7-8-11-14-19-24-32-27(30)22-15-12-9-10-13-16-23-28(31)33-26-21-18-17-20-25(26)29/h17-18,20-21H,2-16,19,22-24H2,1H3
InChIKey ZWACKZWSPIUVBF-UHFFFAOYSA-N
Mol Weight 481.1 g/mol
Molecular Formula C28H45ClO4
Exact Mass 480.300638 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F0FAQ1FBzWr
Name Sebacic acid, 2-chlorophenyl dodecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 480.300637625 u
Formula C28H45ClO4
InChI InChI=1S/C28H45ClO4/c1-2-3-4-5-6-7-8-11-14-19-24-32-27(30)22-15-12-9-10-13-16-23-28(31)33-26-21-18-17-20-25(26)29/h17-18,20-21H,2-16,19,22-24H2,1H3
InChIKey ZWACKZWSPIUVBF-UHFFFAOYSA-N
Molecular Weight 481.117 g/mol
SMILES C(CCCCCCCC(OC1=CC=CC=C1Cl)=O)C(OCCCCCCCCCCCC)=O