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1-(methylsulfinyl)-2-nitro-4-(trifluoromethyl)benzene
SpectraBase Compound ID Ff2HF82pcTG
InChI InChI=1S/C8H6F3NO3S/c1-16(15)7-3-2-5(8(9,10)11)4-6(7)12(13)14/h2-4H,1H3
InChIKey GQUQPVPSQYXUQL-UHFFFAOYSA-N
Mol Weight 253.2 g/mol
Molecular Formula C8H6F3NO3S
Exact Mass 253.002049 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LxJIgb3jhQv
Name 1-(methylsulfinyl)-2-nitro-4-(trifluoromethyl)benzene
CAS Registry Number 71236-97-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6F3NO3S
InChI InChI=1S/C8H6F3NO3S/c1-16(15)7-3-2-5(8(9,10)11)4-6(7)12(13)14/h2-4H,1H3
InChIKey GQUQPVPSQYXUQL-UHFFFAOYSA-N
Molecular Weight 253.195 g/mol
SMILES C(c1cc(N(=O)=O)c(S(C)=O)cc1)(F)(F)F
SPLASH splash10-004j-9800000000-dc2e966a563e57a9a246
Source of Spectrum AD-0-2532-0
Wiley ID 1424494