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4-Tert-butylbenzamidinium trifluoroacetate

View entire compound with spectra: 2 NMR

4-Tert-butylbenzamidinium trifluoroacetate
SpectraBase Compound ID CFE3OcUoeJd
InChI InChI=1S/C13H17F3N2O2/c1-12(2,3)9-6-4-8(5-7-9)10-17-21-19-11(13(14,15)16)20-22-18-10/h4-7,17-18H,1-3H3
InChIKey FDIPKIHLBQKSCU-UHFFFAOYSA-N
Mol Weight 292.3 g/mol
Molecular Formula C13H19F3N2O2
Exact Mass 292.139862 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CgMP1O3iXDm
Name 4-Tert-butylbenzamidinium trifluoroacetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 292.139862347 u
Formula C13H19F3N2O2
InChI InChI=1S/C13H17F3N2O2/c1-12(2,3)9-6-4-8(5-7-9)10-17-21-19-11(13(14,15)16)20-22-18-10/h4-7,17-18H,1-3H3
InChIKey FDIPKIHLBQKSCU-UHFFFAOYSA-N
Molecular Weight 292.302 g/mol
Nominal Mass 292 u
SMILES [OH-]1C(=[OH][H]N[C+](c2ccc(cc2)C(C)(C)C)N[H]1)C(F)(F)F