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1-(3,5-Di-(Trifluoromethyl)phenyl)-2-nitroprop-1-ene II
SpectraBase Compound ID LRAFlmyWB2H
InChI InChI=1S/C11H7F6NO2/c1-6(18(19)20)2-7-3-8(10(12,13)14)5-9(4-7)11(15,16)17/h2-5H,1H3/b6-2-
InChIKey VDJXKHPTEHPHLN-KXFIGUGUSA-N
Mol Weight 299.17 g/mol
Molecular Formula C11H7F6NO2
Exact Mass 299.038097 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Yq1z9hZ4mO
Name 1-(3,5-Di-(Trifluoromethyl)phenyl)-2-nitroprop-1-ene II
Classification Designer drug precursor
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 299.038097445 u
Formula C11H7F6NO2
InChI InChI=1S/C11H7F6NO2/c1-6(18(19)20)2-7-3-8(10(12,13)14)5-9(4-7)11(15,16)17/h2-5H,1H3/b6-2-
InChIKey VDJXKHPTEHPHLN-KXFIGUGUSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 299.172 g/mol
Nominal Mass 299 u
Quality 984
Retention Index 1301
SMILES C(C1=CC(C(F)(F)F)=CC(=C1)\C=C\([N+](=O)[O-])C)(F)(F)F
SPLASH splash10-02ai-7950000000-366f2fe4f4211b1f787c
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 1-(2-nitroprop-1-en-1-yl)-3,5-bis(trifluoromethyl)benzene
Technique GC/MS
Wiley ID DD2024_004495