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2'-Chloro-5'-(trifluoromethyl)acetophenone
SpectraBase Compound ID 4WQlBPJqTE8
InChI InChI=1S/C9H6ClF3O/c1-5(14)7-4-6(9(11,12)13)2-3-8(7)10/h2-4H,1H3
InChIKey YRGBMTWHOFQSDJ-UHFFFAOYSA-N
Mol Weight 222.59 g/mol
Molecular Formula C9H6ClF3O
Exact Mass 222.005927 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 8Mn1HHY0GZh
Name 2'-Chloro-5'-(trifluoromethyl)acetophenone
Source of Sample TCI Chemicals India Pvt. Ltd.
Catalog Number C3336
Lot Number 3PBGO-SK
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 0.270414
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 -11592
Backward Peak Location 14449
Beam Splitter Setting KBr
CAS Registry Number 71648-45-8
Color Properties Colorless- yellow
Container ID C-009582
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 C9H6ClF3O
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/C9H6ClF3O/c1-5(14)7-4-6(9(11,12)13)2-3-8(7)10/h2-4H,1H3
InChIKey YRGBMTWHOFQSDJ-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 222.594 g/mol
Non Linearity Correction 0
Number of Points 15180
Number of Sample Scans 32
Optical Filter Setting Open
Peak Amplitude -11411
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 97%
Relative Humidity Interferometer 10 %
Resolution 2
SKU C3336-1G
SMILES FC(F)(F)c1cc(c(cc1)Cl)C(C)=O
Sample Spacing Divisor 1
Sample Spacing Multiplicator 1
Scan Time 50.048 s
Scanner Temperature 27.5 °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 3-Acetyl-4-chlorobenzotrifluoride
Technique Neat
Window KBr Window - 1 Side
Zero Filling Factor 8