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4-Nitro-2-(trifluoromethyl)benzoic acid
SpectraBase Compound ID 1Agza1j2Cwb
InChI InChI=1S/C8H4F3NO4/c9-8(10,11)6-3-4(12(15)16)1-2-5(6)7(13)14/h1-3H,(H,13,14)
InChIKey BPCKZQCTLCTDST-UHFFFAOYSA-N
Mol Weight 235.12 g/mol
Molecular Formula C8H4F3NO4
Exact Mass 235.009242 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 1b4IgkQYvsM
Name 4-Nitro-2-(trifluoromethyl)benzoic acid
Source of Sample TCI Chemicals India Pvt. Ltd.
Catalog Number N1037
Lot Number ACMVC-EE
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 0.270202
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 -1843
Backward Peak Location 7369
Beam Splitter Setting KBr
CAS Registry Number 320-37-6
Color Properties White
Container ID C-009695
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 C8H4F3NO4
Frequency of First Point 3998.34 cm⁻¹
Frequency of Last Point 339.463 cm⁻¹
High Folding Limit 15800.5
High Frequency Limit 8000 cm⁻¹
High Pass Filter 0
InChI InChI=1S/C8H4F3NO4/c9-8(10,11)6-3-4(12(15)16)1-2-5(6)7(13)14/h1-3H,(H,13,14)
InChIKey BPCKZQCTLCTDST-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
Measurement Channel Sample Compartment
Molecular Weight 235.118 g/mol
Non Linearity Correction 0
Number of Points 3795
Number of Sample Scans 32
Optical Filter Setting Open
Peak Amplitude -1864
Peak Amplitude 2nd Channel 1
Peak Location 7366
Peak Location 2nd Channel 1
Phase Correction Mode Mertz
Phase Resolution 8
Physical State Solid
Preamplifier Gain 3
Preamplifier Gain Background 0
Purity 97%
Relative Humidity Interferometer 0 %
Resolution 4
SKU N1037-1G
SMILES N(=O)(=O)c1cc(c(cc1)C(O)=O)C(F)(F)F
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 27.299 s
Scanner Temperature 26 °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-Carboxy-5-nitrobenzotrifluoride
Technique ATR-Neat
Zero Filling Factor 4