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1-nitro-2-[(trifluoromethyl)thio]benzene
SpectraBase Compound ID 2K9BF3pYzKI
InChI InChI=1S/C7H4F3NO2S/c8-7(9,10)14-6-4-2-1-3-5(6)11(12)13/h1-4H
InChIKey WDUPSNXUSGMQME-UHFFFAOYSA-N
Mol Weight 223.17 g/mol
Molecular Formula C7H4F3NO2S
Exact Mass 222.991484 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 72VPsfeLcNq
Name 1-nitro-2-[(trifluoromethyl)thio]benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.991484034 u
Formula C7H4F3NO2S
GC Column HP-5 (30 m x 320 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 300oC
InChI InChI=1S/C7H4F3NO2S/c8-7(9,10)14-6-4-2-1-3-5(6)11(12)13/h1-4H
InChIKey WDUPSNXUSGMQME-UHFFFAOYSA-N
Instrument Name Varian Saturn 2100 T
Ionization Type EI
Literature Reference DOI 10.1002/chem.201503915
Molecular Weight 223.169 g/mol
Quality 828
Reported Formula C7H4F3NO2S
SMILES C1=CC=CC(=C1SC(F)(F)F)[N+]([O-])=O
SPLASH splash10-0zmj-6920000000-9556632e78a85a2e1a28
Source of Spectrum QE-21-SM28-2j (DOI: 10.1002/chem.201503915)
Wiley ID 1907363