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1-(3-(Trifluoromethyl)phenyl)-2-nitrobut-1-ene II
SpectraBase Compound ID FLLdUnUQPXH
InChI InChI=1S/C11H10F3NO2/c1-2-10(15(16)17)7-8-4-3-5-9(6-8)11(12,13)14/h3-7H,2H2,1H3/b10-7-
InChIKey IVZGBQZFYJWPRW-YFHOEESVSA-N
Mol Weight 245.2 g/mol
Molecular Formula C11H10F3NO2
Exact Mass 245.066363 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2nlCg6oeaaO
Name 1-(3-(Trifluoromethyl)phenyl)-2-nitrobut-1-ene I
Classification Designer drug precursor
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 245.066363053 u
Formula C11H10F3NO2
InChI InChI=1S/C11H10F3NO2/c1-2-10(15(16)17)7-8-4-3-5-9(6-8)11(12,13)14/h3-7H,2H2,1H3/b10-7-
InChIKey IVZGBQZFYJWPRW-YFHOEESVSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 245.201 g/mol
Nominal Mass 245 u
Quality 991
Retention Index 1391
SMILES C(C1=CC(\C=C\([N+](=O)[O-])CC)=CC=C1)(F)(F)F
SPLASH splash10-0a4i-6900000000-af32f238750b5a5352c8
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1-((1Z)-2-nitrobut-1-en-1-yl)-3-(trifluoromethyl)benzene
Technique GC/MS
Wiley ID DD2024_004469