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Phenylanaline, 2-bromo-4,5-dimethoxy-N-trifluoromethyl-,

View entire compound with spectra: 1 NMR

Phenylanaline, 2-bromo-4,5-dimethoxy-N-trifluoromethyl-,
SpectraBase Compound ID F1Tm9aFjNsu
InChI InChI=1S/C18H21BrF3NO6/c1-17(7-28-8-17)9-29-15(24)12(23-16(25)18(20,21)22)4-10-5-13(26-2)14(27-3)6-11(10)19/h5-6,12H,4,7-9H2,1-3H3,(H,23,25)
InChIKey JMAIOKLLTSKYJF-UHFFFAOYSA-N
Mol Weight 484.27 g/mol
Molecular Formula C18H21BrF3NO6
Exact Mass 483.050435 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HwjsOn5zcPD
Name Phenylanaline, 2-bromo-4,5-dimethoxy-N-trifluoromethyl-,
Comments Computed using HOSE algorithm
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Exact Mass 483.050434883 u
Formula C18H21BrF3NO6
InChI InChI=1S/C18H21BrF3NO6/c1-17(7-28-8-17)9-29-15(24)12(23-16(25)18(20,21)22)4-10-5-13(26-2)14(27-3)6-11(10)19/h5-6,12H,4,7-9H2,1-3H3,(H,23,25)
InChIKey JMAIOKLLTSKYJF-UHFFFAOYSA-N
Molecular Weight 484.266 g/mol
SMILES C1(=CC(=C(C=C1Br)OC)OC)CC(C(=O)OCC1(COC1)C)NC(=O)C(F)(F)F