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Glutaric acid, dec-2-yl 2-bromo-4-fluorophenyl ester
SpectraBase Compound ID 34aHYLrFspz
InChI InChI=1S/C21H30BrFO4/c1-3-4-5-6-7-8-10-16(2)26-20(24)11-9-12-21(25)27-19-14-13-17(23)15-18(19)22/h13-16H,3-12H2,1-2H3
InChIKey PHENHSSATCWPQG-UHFFFAOYSA-N
Mol Weight 445.37 g/mol
Molecular Formula C21H30BrFO4
Exact Mass 444.131151 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EzAUxr9cBLL
Name Glutaric acid, dec-2-yl 2-bromo-4-fluorophenyl ester
Comments Computed using HOSE algorithm
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Exact Mass 444.131150605 u
Formula C21H30BrFO4
InChI InChI=1S/C21H30BrFO4/c1-3-4-5-6-7-8-10-16(2)26-20(24)11-9-12-21(25)27-19-14-13-17(23)15-18(19)22/h13-16H,3-12H2,1-2H3
InChIKey PHENHSSATCWPQG-UHFFFAOYSA-N
Molecular Weight 445.369 g/mol
SMILES C(CCC(OC(C)CCCCCCCC)=O)C(OC=1C(=CC(=CC1)F)Br)=O