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5-BnO-DiPT TFA

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

5-BnO-DiPT TFA
SpectraBase Compound ID Ce3K2lRi2Ad
InChI InChI=1S/C25H29F3N2O2/c1-17(2)29(18(3)4)13-12-20-15-30(24(31)25(26,27)28)23-11-10-21(14-22(20)23)32-16-19-8-6-5-7-9-19/h5-11,14-15,17-18H,12-13,16H2,1-4H3
InChIKey BSYDDJCFLWMHIV-UHFFFAOYSA-N
Mol Weight 446.51 g/mol
Molecular Formula C25H29F3N2O2
Exact Mass 446.218113 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6svgkdBWBG0
Name 5-bno-Dipt tfa P1573
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 446.218112669 u
Formula C25H29F3N2O2
InChI InChI=1S/C25H29F3N2O2/c1-17(2)29(18(3)4)13-12-20-15-30(24(31)25(26,27)28)23-11-10-21(14-22(20)23)32-16-19-8-6-5-7-9-19/h5-11,14-15,17-18H,12-13,16H2,1-4H3
InChIKey BSYDDJCFLWMHIV-UHFFFAOYSA-N
Molecular Weight 446.514 g/mol
SMILES C1(=CC=C2N(C=C(C2=C1)CCN(C(C)C)C(C)C)C(=O)C(F)(F)F)OCC1=CC=CC=C1