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4-Bromo-2-[(4-fluoroanilino)carbonyl]phenyl N,N-dimethylcarbamate

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

4-Bromo-2-[(4-fluoroanilino)carbonyl]phenyl N,N-dimethylcarbamate
SpectraBase Compound ID A1GSOzHVVQs
InChI InChI=1S/C16H14BrFN2O3/c1-20(2)16(22)23-14-8-3-10(17)9-13(14)15(21)19-12-6-4-11(18)5-7-12/h3-9H,1-2H3,(H,19,21)
InChIKey IBSFPRLWTARWPV-UHFFFAOYSA-N
Mol Weight 381.2 g/mol
Molecular Formula C16H14BrFN2O3
Exact Mass 380.017183 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KoAaHaW6gsP
Name 4-Bromo-2-[(4-fluoroanilino)carbonyl]phenyl N,N-dimethylcarbamate
Comments Computed using HOSE algorithm
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Exact Mass 380.017183479 u
Formula C16H14BrFN2O3
InChI InChI=1S/C16H14BrFN2O3/c1-20(2)16(22)23-14-8-3-10(17)9-13(14)15(21)19-12-6-4-11(18)5-7-12/h3-9H,1-2H3,(H,19,21)
InChIKey IBSFPRLWTARWPV-UHFFFAOYSA-N
Molecular Weight 381.201 g/mol
SMILES C1(C(NC2=CC=C(C=C2)F)=O)=C(OC(N(C)C)=O)C=CC(=C1)Br