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3-(hydroxymethyl)-1-methyl-3-(2,2,2-trifluoroethyl)indolin-2-one
SpectraBase Compound ID J3bSMCiKOUu
InChI InChI=1S/C12H12F3NO2/c1-16-9-5-3-2-4-8(9)11(7-17,10(16)18)6-12(13,14)15/h2-5,17H,6-7H2,1H3
InChIKey NUIKFVXRZNCZAQ-UHFFFAOYSA-N
Mol Weight 259.23 g/mol
Molecular Formula C12H12F3NO2
Exact Mass 259.082013 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IZaa8oqZ0O3
Name 3-(hydroxymethyl)-1-methyl-3-(2,2,2-trifluoroethyl)indolin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12F3NO2
InChI InChI=1S/C12H12F3NO2/c1-16-9-5-3-2-4-8(9)11(7-17,10(16)18)6-12(13,14)15/h2-5,17H,6-7H2,1H3
InChIKey NUIKFVXRZNCZAQ-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol5014747
Molecular Weight 259.228 g/mol
SMILES OCC1(C(N(c2ccccc12)C)=O)CC(F)(F)F
SPLASH splash10-056r-0390000000-e5816940d0dd20f9490e
Source of Spectrum A1-16-3688/SM8-1k
Wiley ID 1749654