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 |