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6-Bromanyl-N-[2-[2-methyl-5-(trifluoromethyloxy)-1H-indol-3-yl]ethyl]-2-oxidanylidene-chromene-3-carboxamide
SpectraBase Compound ID 6JdORRfbnW4
InChI InChI=1S/C22H16BrF3N2O4/c1-11-15(16-10-14(32-22(24,25)26)3-4-18(16)28-11)6-7-27-20(29)17-9-12-8-13(23)2-5-19(12)31-21(17)30/h2-5,8-10,28H,6-7H2,1H3,(H,27,29)
InChIKey RGOWWNXYECSGKN-UHFFFAOYSA-N
Mol Weight 509.28 g/mol
Molecular Formula C22H16BrF3N2O4
Exact Mass 508.024554 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JZXHIxYK1we
Name 6-Bromanyl-N-[2-[2-methyl-5-(trifluoromethyloxy)-1H-indol-3-yl]ethyl]-2-oxidanylidene-chromene-3-carboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 508.024554488 u
Formula C22H16BrF3N2O4
InChI InChI=1S/C22H16BrF3N2O4/c1-11-15(16-10-14(32-22(24,25)26)3-4-18(16)28-11)6-7-27-20(29)17-9-12-8-13(23)2-5-19(12)31-21(17)30/h2-5,8-10,28H,6-7H2,1H3,(H,27,29)
InChIKey RGOWWNXYECSGKN-UHFFFAOYSA-N
Molecular Weight 509.279 g/mol
SMILES C=1(C(OC2=C(C1)C=C(C=C2)Br)=O)C(=O)NCCC1=C(NC=2C1=CC(OC(F)(F)F)=CC2)C