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Adipic acid, 2-bromo-4-fluorophenyl undecyl ester

View entire compound with spectra: 1 NMR

Adipic acid, 2-bromo-4-fluorophenyl undecyl ester
SpectraBase Compound ID LWGeR3a7G1g
InChI InChI=1S/C23H34BrFO4/c1-2-3-4-5-6-7-8-9-12-17-28-22(26)13-10-11-14-23(27)29-21-16-15-19(25)18-20(21)24/h15-16,18H,2-14,17H2,1H3
InChIKey OYKCCRVLHNUKPN-UHFFFAOYSA-N
Mol Weight 473.4 g/mol
Molecular Formula C23H34BrFO4
Exact Mass 472.162451 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BacxOTrxF2b
Name Adipic acid, 2-bromo-4-fluorophenyl undecyl ester
Comments Computed using HOSE algorithm
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Exact Mass 472.162450734 u
Formula C23H34BrFO4
InChI InChI=1S/C23H34BrFO4/c1-2-3-4-5-6-7-8-9-12-17-28-22(26)13-10-11-14-23(27)29-21-16-15-19(25)18-20(21)24/h15-16,18H,2-14,17H2,1H3
InChIKey OYKCCRVLHNUKPN-UHFFFAOYSA-N
Molecular Weight 473.423 g/mol
SMILES C(CCCCOC(CCCCC(=O)OC1=C(C=C(C=C1)F)Br)=O)CCCCCC