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4-Bromo-3-(trifluoromethyl)anisole
SpectraBase Compound ID A49ufpFwWjP
InChI InChI=1S/C8H6BrF3O/c1-13-5-2-3-7(9)6(4-5)8(10,11)12/h2-4H,1H3
InChIKey NSGGOSHNRGWKCM-UHFFFAOYSA-N
Mol Weight 255.03 g/mol
Molecular Formula C8H6BrF3O
Exact Mass 253.955412 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 54ho9vyIy4n
Name 4-Bromo-3-(trifluoromethyl)anisole
Source of Sample Alfa Aesar, Thermo Fisher Scientific
Catalog Number H31682
Lot Number 10162911
Accessory DuraSample IR #145404C7
Acquisition Mode double sided, forward-backward
Actual Signal Gain 8
Actual Signal Gain 2nd Channel 1
Additional Data Treatment 1
Analog Signal 1 0.27035
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 Rotations 32
Background Scans 32
Background Scans or Time Scans
Backward Peak Amplitude -1904
Backward Peak Location 7369
Beam Splitter Setting KBr
CAS Registry Number 400-72-6
Color Properties Colorless
Container ID C-009978
Copyright Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Point Format 1
Delay Before Measurement 1 s
Detector Setting RT-DLaTGS [Internal]
End Frequency Limit for File 340
External Synchronization Off
Focal Length 100
Formula C8H6BrF3O
Frequency of First Point 3998.29 cm⁻¹
Frequency of Last Point 339.46 cm⁻¹
High Folding Limit 15800.3
High Frequency Limit 8000 cm⁻¹
High Pass Filter 0
InChI InChI=1S/C8H6BrF3O/c1-13-5-2-3-7(9)6(4-5)8(10,11)12/h2-4H,1H3
InChIKey NSGGOSHNRGWKCM-UHFFFAOYSA-N
Instrument Name Bruker Tensor 27 FT-IR
Laser Wavenumber 15800.3 cm⁻¹
Low Folding Limit 0
Low Frequency Limit 0
Low Pass Filter 10
Measurement Channel Sample Compartment
Molecular Weight 255.034 g/mol
Non Linearity Correction 0
Number of Points 3795
Number of Sample Scans 32
Optical Filter Setting Open
Peak Amplitude -1926
Peak Amplitude 2nd Channel 1
Peak Location 7366
Peak Location 2nd Channel 1
Phase Correction Mode Mertz
Phase Resolution 8
Physical State Liquid
Preamplifier Gain 3
Preamplifier Gain Background 0
Purity 98%
Relative Humidity Interferometer 10 %
Resolution 4
SKU H31682-1G
SMILES C(F)(F)(F)c1cc(ccc1Br)OC
Sample Rotations 32
Sample Scans or Time Scans
Sample Spacing Divisor 1
Sample Spacing Multiplicator 1
Scan Time 27.293 s
Scanner Temperature 28.3 °C
Scanner Velocity 10 kHz
Signal Gain, Background automatic
Signal Gain, Sample automatic
Source of Spectrum Bio-Rad Laboratories, Inc.
Start Frequency Limit for File 4000 cm⁻¹
Synonyms 2-Bromo-5-methoxybenzotrifluoride
Technique ATR-Neat
Zero Filling Factor 4