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5-bno-Dalt tfa P1566

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

5-bno-Dalt tfa P1566
SpectraBase Compound ID 8PHSXCs6j2A
InChI InChI=1S/C25H25F3N2O2/c1-3-13-29(14-4-2)15-12-20-17-30(24(31)25(26,27)28)23-11-10-21(16-22(20)23)32-18-19-8-6-5-7-9-19/h3-11,16-17H,1-2,12-15,18H2
InChIKey PRZWFPVPHDQANG-UHFFFAOYSA-N
Mol Weight 442.48 g/mol
Molecular Formula C25H25F3N2O2
Exact Mass 442.186813 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID E8T5HFVdrKE
Name 5-bno-Dalt tfa P1566
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 442.186812540 u
Formula C25H25F3N2O2
InChI InChI=1S/C25H25F3N2O2/c1-3-13-29(14-4-2)15-12-20-17-30(24(31)25(26,27)28)23-11-10-21(16-22(20)23)32-18-19-8-6-5-7-9-19/h3-11,16-17H,1-2,12-15,18H2
InChIKey PRZWFPVPHDQANG-UHFFFAOYSA-N
Molecular Weight 442.482 g/mol
SMILES C=1(OCC2=CC=CC=C2)C=C2C(=CN(C2=CC1)C(=O)C(F)(F)F)CCN(CC=C)CC=C