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5-(p-trifluoromethyl)phenyl-3-methoxy-2-methylisoindolin-1-one
SpectraBase Compound ID 6Qq9MdZUOaj
InChI InChI=1S/C17H14F3NO2/c1-21-15(22)13-8-5-11(9-14(13)16(21)23-2)10-3-6-12(7-4-10)17(18,19)20/h3-9,16H,1-2H3
InChIKey ITPLVNFHZDZAMZ-UHFFFAOYSA-N
Mol Weight 321.3 g/mol
Molecular Formula C17H14F3NO2
Exact Mass 321.097663 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GLM0YO69cQT
Name 5-(p-trifluoromethyl)phenyl-3-methoxy-2-methylisoindolin-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 321.097663182 u
Formula C17H14F3NO2
InChI InChI=1S/C17H14F3NO2/c1-21-15(22)13-8-5-11(9-14(13)16(21)23-2)10-3-6-12(7-4-10)17(18,19)20/h3-9,16H,1-2H3
InChIKey ITPLVNFHZDZAMZ-UHFFFAOYSA-N
Instrument Name Agilent 5973
Ionization Type EI
Literature Reference DOI 10.1002/anie.201508575
Molecular Weight 321.299 g/mol
Quality 19
Reported Formula C17H14O2NF3
SMILES C1(=CC=C(C=C1)C(F)(F)F)C1=CC2=C(C=C1)C(N(C2OC)C)=O
SPLASH splash10-0006-0090000000-d5189bf1dafa6e98caa5
Source of Spectrum ACI-55-SM17-2s' (DOI: 10.1002/anie.201508575)
Wiley ID 1895061