SpectraBase Spectrum ID |
183JJeBwjaz |
Name |
3-(Trifluoromethyl)benzoic acid |
Source of Sample |
TCI Chemicals India Pvt. Ltd. |
Catalog Number |
T1034 |
Lot Number |
LSBDE-QH |
Accessory |
DuraSample IR #145404C7 |
Acquisition Mode |
double sided, forward-backward |
Actual Signal Gain |
16 |
Actual Signal Gain 2nd Channel |
1 |
Additional Data Treatment |
1 |
Analog Signal 1 |
0.270952 |
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 |
-1277 |
Backward Peak Location |
7349 |
Beam Splitter Setting |
KBr |
CAS Registry Number |
454-92-2 |
Color Properties |
Beige |
Container ID |
C-010186 |
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 |
C8H5F3O2 |
Frequency of First Point |
3998.29 cm⁻¹ |
Frequency of Last Point |
339.459 cm⁻¹ |
High Folding Limit |
15800.3 |
High Frequency Limit |
8000 cm⁻¹ |
High Pass Filter |
0 |
InChI |
InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13) |
InChIKey |
FQXQBFUUVCDIRK-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 |
190.121 g/mol |
Non Linearity Correction |
0 |
Number of Points |
3795 |
Number of Sample Scans |
32 |
Optical Filter Setting |
Open |
Peak Amplitude |
-1358 |
Peak Amplitude 2nd Channel |
1 |
Peak Location |
7387 |
Peak Location 2nd Channel |
1 |
Phase Correction Mode |
Mertz |
Phase Resolution |
8 |
Physical State |
Solid |
Preamplifier Gain |
3 |
Preamplifier Gain Background |
0 |
Purity |
>98.0% |
Relative Humidity Interferometer |
0 % |
Resolution |
4 |
SKU |
T1034-5G |
SMILES |
OC(c1cc(ccc1)C(F)(F)F)=O |
Sample Comments |
Sample ground at metal edge of ATR |
Sample Rotations |
32 |
Sample Scans or Time |
Scans |
Sample Spacing Divisor |
1 |
Sample Spacing Multiplicator |
1 |
Scan Time |
27.316 s |
Scanner Temperature |
34.2 °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 |
α,α,α-Trifluoro-m-toluic acid |
Technique |
ATR-Neat |
Zero Filling Factor |
4 |