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Bis(4-fluoro-3-nitrophenyl) sulfone
SpectraBase Compound ID KM2djw3oMVl
InChI InChI=1S/C12H6F2N2O6S/c13-9-3-1-7(5-11(9)15(17)18)23(21,22)8-2-4-10(14)12(6-8)16(19)20/h1-6H
InChIKey KHAWDEWNXJIVCJ-UHFFFAOYSA-N
Mol Weight 344.24 g/mol
Molecular Formula C12H6F2N2O6S
Exact Mass 343.991463 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 5b2ENI5OCh0
Name Bis(4-fluoro-3-nitrophenyl) sulfone
Source of Sample Alfa Aesar, Thermo Fisher Scientific
Catalog Number L16742
Lot Number 10178112
Accessory TRANS *14560FA0
Acquisition Mode double sided, forward-backward
Actual Signal Gain 2
Actual Signal Gain 2nd Channel 1
Additional Data Treatment 0
Analog Signal 1 0.27042
Analog Signal 2 0
Aperture Setting 6 mm
Apodization Function Norton-Beer, medium
Background Measurement Channel Sample Compartment
Background Peak Amplitude 2nd Channel 1
Background Peak Location 2nd Channel 1
Background Scans 32
Background Scans or Time Scans
Backward Peak Amplitude -11312
Backward Peak Location 14449
Beam Splitter Setting KBr
CAS Registry Number 312-30-1
Container ID C-008895
Copyright Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Point Format 1
Delay Before Measurement 0 s
Detector Setting RT-DLaTGS [Internal]
End Frequency Limit for File 340
External Synchronization Off
Focal Length 100
Formula C12H6F2N2O6S
Frequency of First Point 3999.54 cm⁻¹
Frequency of Last Point 339.945 cm⁻¹
High Folding Limit 15800.5
High Frequency Limit 8000 cm⁻¹
High Pass Filter 0
InChI InChI=1S/C12H6F2N2O6S/c13-9-3-1-7(5-11(9)15(17)18)23(21,22)8-2-4-10(14)12(6-8)16(19)20/h1-6H
InChIKey KHAWDEWNXJIVCJ-UHFFFAOYSA-N
Instrument Name Bruker Tensor 27 FT-IR
KBr Capsule ID K-04925
Laser Wavenumber 15800.5 cm⁻¹
Low Folding Limit 0
Low Frequency Limit 0
Low Pass Filter 10
Molecular Weight 344.245 g/mol
Non Linearity Correction 0
Number of Points 15180
Number of Sample Scans 32
Optical Filter Setting Open
Peak Amplitude -11327
Peak Amplitude 2nd Channel 1
Peak Location 14506
Peak Location 2nd Channel 1
Pellet ID P-04606
Phase Correction Mode Mertz
Phase Resolution 4
Physical State Solid
Preamplifier Gain Background 0
Purity 97%
Relative Humidity Interferometer 20 %
Resolution 2
SKU L16742-5G
SMILES O=N(=O)c1cc(S(c2cc(c(cc2)F)N(=O)=O)(=O)=O)ccc1F
Sample Capsule ID S-04925
Sample Spacing Divisor 1
Sample Spacing Multiplicator 1
Scan Time 50.045 s
Scanner Temperature 28.6 °C
Scanner Velocity 10 kHz
Signal Gain, Background automatic
Source of Spectrum Bio-Rad Laboratories, Inc.
Start Frequency Limit for File 4000 cm⁻¹
Synonyms 4,4'-Difluoro-3,3'-dinitrodiphenyl sulfone; 4-Fluoro-3-nitrophenyl sulfone
Technique KBr1
Zero Filling Factor 8