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1,2-Cyclohexanedicarboxylic acid, 4-bromophenyl nonyl ester

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, 4-bromophenyl nonyl ester
SpectraBase Compound ID p87KrjhUiq
InChI InChI=1S/C23H33BrO4/c1-2-3-4-5-6-7-10-17-27-22(25)20-11-8-9-12-21(20)23(26)28-19-15-13-18(24)14-16-19/h13-16,20-21H,2-12,17H2,1H3
InChIKey AOEGNDJRHKSQKR-UHFFFAOYSA-N
Mol Weight 453.4 g/mol
Molecular Formula C23H33BrO4
Exact Mass 452.156223 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CTsbHdjWknw
Name 1,2-Cyclohexanedicarboxylic acid, 4-bromophenyl nonyl ester
Comments Computed using HOSE algorithm
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Exact Mass 452.156222539 u
Formula C23H33BrO4
InChI InChI=1S/C23H33BrO4/c1-2-3-4-5-6-7-10-17-27-22(25)20-11-8-9-12-21(20)23(26)28-19-15-13-18(24)14-16-19/h13-16,20-21H,2-12,17H2,1H3
InChIKey AOEGNDJRHKSQKR-UHFFFAOYSA-N
Molecular Weight 453.417 g/mol
SMILES CCCCCCCCCOC(C1C(C(=O)OC2=CC=C(C=C2)Br)CCCC1)=O