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Phthalic acid, 2-bromo-4-fluorophenyl cyclohexylmethyl ester

View entire compound with spectra: 1 NMR

Phthalic acid, 2-bromo-4-fluorophenyl cyclohexylmethyl ester
SpectraBase Compound ID EEmv54J7kZt
InChI InChI=1S/C21H20BrFO4/c22-18-12-15(23)10-11-19(18)27-21(25)17-9-5-4-8-16(17)20(24)26-13-14-6-2-1-3-7-14/h4-5,8-12,14H,1-3,6-7,13H2
InChIKey ZTUVMVGFWUVHRW-UHFFFAOYSA-N
Mol Weight 435.29 g/mol
Molecular Formula C21H20BrFO4
Exact Mass 434.0529 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3k83beXfwEz
Name Phthalic acid, 2-bromo-4-fluorophenyl cyclohexylmethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 434.052900283 u
Formula C21H20BrFO4
InChI InChI=1S/C21H20BrFO4/c22-18-12-15(23)10-11-19(18)27-21(25)17-9-5-4-8-16(17)20(24)26-13-14-6-2-1-3-7-14/h4-5,8-12,14H,1-3,6-7,13H2
InChIKey ZTUVMVGFWUVHRW-UHFFFAOYSA-N
Molecular Weight 435.289 g/mol
SMILES C1(=C(C=CC=C1)C(OCC1CCCCC1)=O)C(OC1=CC=C(C=C1Br)F)=O