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1,2,3,4,5-Pentafluoro-6-(nitromethyl)benzene
SpectraBase Compound ID ALXbhtb7qLX
InChI InChI=1S/C7H2F5NO2/c8-3-2(1-13(14)15)4(9)6(11)7(12)5(3)10/h1H2
InChIKey QTSPAMWUNUOOKF-UHFFFAOYSA-N
Mol Weight 227.09 g/mol
Molecular Formula C7H2F5NO2
Exact Mass 227.000569 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LWiYaNcMEML
Name 1,2,3,4,5-Pentafluoro-6-(nitromethyl)benzene
CAS Registry Number 90826-57-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H2F5NO2
InChI InChI=1S/C7H2F5NO2/c8-3-2(1-13(14)15)4(9)6(11)7(12)5(3)10/h1H2
InChIKey QTSPAMWUNUOOKF-UHFFFAOYSA-N
Molecular Weight 227.090 g/mol
SMILES C(c1c(c(c(c(c1F)F)F)F)F)N(=O)=O
SPLASH splash10-001i-1900000000-b20b79db15993bf84028
Source of Spectrum W5-1989-36241-29295
Synonyms .alpha.-Nitro-2,3,4,5,6-pentafluorotoluene 1,2,3,4,5-pentakis(fluoranyl)-6-(nitromethyl)benzene
Wiley ID 1228317