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2-Aminophenol, N-trifluoroacetyl-, heptafluorobutyrate

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2-Aminophenol, N-trifluoroacetyl-, heptafluorobutyrate
SpectraBase Compound ID Kglkj2G3Biq
InChI InChI=1S/C12H5F10NO3/c13-9(14,11(18,19)12(20,21)22)8(25)26-6-4-2-1-3-5(6)23-7(24)10(15,16)17/h1-4H,(H,23,24)
InChIKey VYUAWIPZQQNXRK-UHFFFAOYSA-N
Mol Weight 401.16 g/mol
Molecular Formula C12H5F10NO3
Exact Mass 401.010975 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4cSrEPLzx0R
Name 2-Aminophenol, N-trifluoroacetyl-, heptafluorobutyrate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 401.010974652 u
Formula C12H5F10NO3
InChI InChI=1S/C12H5F10NO3/c13-9(14,11(18,19)12(20,21)22)8(25)26-6-4-2-1-3-5(6)23-7(24)10(15,16)17/h1-4H,(H,23,24)
InChIKey VYUAWIPZQQNXRK-UHFFFAOYSA-N
Molecular Weight 401.160 g/mol
SMILES C1(=C(C=CC=C1)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)NC(C(F)(F)F)=O