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

View entire compound with spectra: 1 NMR

1,2-Cyclohexanedicarboxylic acid, 4-bromophenyl pentyl ester
SpectraBase Compound ID JrZnbnAEJjy
InChI InChI=1S/C19H25BrO4/c1-2-3-6-13-23-18(21)16-7-4-5-8-17(16)19(22)24-15-11-9-14(20)10-12-15/h9-12,16-17H,2-8,13H2,1H3
InChIKey DCMARCGMTSPYLT-UHFFFAOYSA-N
Mol Weight 397.31 g/mol
Molecular Formula C19H25BrO4
Exact Mass 396.093622 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LG4RYIP48EV
Name 1,2-Cyclohexanedicarboxylic acid, 4-bromophenyl pentyl ester
Comments Computed using HOSE algorithm
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Exact Mass 396.093622281 u
Formula C19H25BrO4
InChI InChI=1S/C19H25BrO4/c1-2-3-6-13-23-18(21)16-7-4-5-8-17(16)19(22)24-15-11-9-14(20)10-12-15/h9-12,16-17H,2-8,13H2,1H3
InChIKey DCMARCGMTSPYLT-UHFFFAOYSA-N
Molecular Weight 397.309 g/mol
SMILES C1(=CC=C(C=C1)Br)OC(C1CCCCC1C(OCCCCC)=O)=O