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N-Ethyl-5-(alpha-hydroxyhexafluoroisopropyl)-3-hydroxy-2-oxo-3-trifluoromethylindoline

View entire compound with spectra: 2 NMR

N-Ethyl-5-(alpha-hydroxyhexafluoroisopropyl)-3-hydroxy-2-oxo-3-trifluoromethylindoline
SpectraBase Compound ID jKWt1jmrTC
InChI InChI=1S/C14H10F9NO3/c1-2-24-8-4-3-6(11(27,13(18,19)20)14(21,22)23)5-7(8)10(26,9(24)25)12(15,16)17/h3-5,26-27H,2H2,1H3
InChIKey VRVDLAYQSIIDBF-UHFFFAOYSA-N
Mol Weight 411.22 g/mol
Molecular Formula C14H10F9NO3
Exact Mass 411.051697 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8tUBEzvDu2O
Name N-Ethyl-5-(alpha-hydroxyhexafluoroisopropyl)-3-hydroxy-2-oxo-3-trifluoromethylindoline
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 411.051696650 u
Formula C14H10F9NO3
InChI InChI=1S/C14H10F9NO3/c1-2-24-8-4-3-6(11(27,13(18,19)20)14(21,22)23)5-7(8)10(26,9(24)25)12(15,16)17/h3-5,26-27H,2H2,1H3
InChIKey VRVDLAYQSIIDBF-UHFFFAOYSA-N
Molecular Weight 411.224 g/mol
SMILES OC(c1ccc2c(C(C(N2CC)=O)(C(F)(F)F)O)c1)(C(F)(F)F)C(F)(F)F