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2-Chloro-3-nitrobenzotrifluoride
SpectraBase Compound ID A0xtaWRBau6
InChI InChI=1S/C7H3ClF3NO2/c8-6-4(7(9,10)11)2-1-3-5(6)12(13)14/h1-3H
InChIKey TWABRHQBRWLSSE-UHFFFAOYSA-N
Mol Weight 225.55 g/mol
Molecular Formula C7H3ClF3NO2
Exact Mass 224.980441 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID Ip3z5DgJ6aw
Name 2-Chloro-3-nitrobenzotrifluoride
Source of Sample Alfa Aesar, Thermo Fisher Scientific
Catalog Number H64051
Lot Number 81302337
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 0.270744
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 -7125
Backward Peak Location 14450
Beam Splitter Setting KBr
CAS Registry Number 39974-35-1
Container ID C-009264
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 C7H3ClF3NO2
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/C7H3ClF3NO2/c8-6-4(7(9,10)11)2-1-3-5(6)12(13)14/h1-3H
InChIKey TWABRHQBRWLSSE-UHFFFAOYSA-N
Instrument Name Bruker Tensor 27 FT-IR
Laser Wavenumber 15800.5 cm⁻¹
Low Folding Limit 0
Low Frequency Limit 0
Low Pass Filter 10
Molecular Weight 225.554 g/mol
Non Linearity Correction 0
Number of Points 15180
Number of Sample Scans 32
Optical Filter Setting Open
Peak Amplitude -7300
Peak Amplitude 2nd Channel 1
Peak Location 14506
Peak Location 2nd Channel 1
Phase Correction Mode Mertz
Phase Resolution 4
Physical State Solid
Preamplifier Gain Background 0
Purity 98%
Relative Humidity Interferometer 20 %
Resolution 2
SKU H64051-1G
SMILES N(=O)(=O)c1c(c(ccc1)C(F)(F)F)Cl
Sample Spacing Divisor 1
Sample Spacing Multiplicator 1
Scan Time 50.031 s
Scanner Temperature 31.1 °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 2-Chloro-1-nitro-3-(trifluoromethyl)benzene
Technique Melt (Crystalline)
Window KBr Window
Zero Filling Factor 8