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5-bno-Dalt hfb P1690

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5-bno-Dalt hfb P1690
SpectraBase Compound ID Al2T24LCJzC
InChI InChI=1S/C27H25F7N2O2/c1-3-13-35(14-4-2)15-12-20-17-36(24(37)25(28,29)26(30,31)27(32,33)34)23-11-10-21(16-22(20)23)38-18-19-8-6-5-7-9-19/h3-11,16-17H,1-2,12-15,18H2
InChIKey LNJHOHLQTRJTNP-UHFFFAOYSA-N
Mol Weight 542.5 g/mol
Molecular Formula C27H25F7N2O2
Exact Mass 542.180425 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CoM9oyCyWRq
Name 5-bno-Dalt hfb P1690
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 542.180425192 u
Formula C27H25F7N2O2
InChI InChI=1S/C27H25F7N2O2/c1-3-13-35(14-4-2)15-12-20-17-36(24(37)25(28,29)26(30,31)27(32,33)34)23-11-10-21(16-22(20)23)38-18-19-8-6-5-7-9-19/h3-11,16-17H,1-2,12-15,18H2
InChIKey LNJHOHLQTRJTNP-UHFFFAOYSA-N
Molecular Weight 542.498 g/mol
SMILES C=1(OCC2=CC=CC=C2)C=C2C(=CC1)N(C=C2CCN(CC=C)CC=C)C(=O)C(F)(F)C(F)(F)C(F)(F)F