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5-Chloro-2-nitrotoluene
SpectraBase Compound ID JBuCrJj3HAG
InChI InChI=1S/C7H6ClNO2/c1-5-4-6(8)2-3-7(5)9(10)11/h2-4H,1H3
InChIKey NSMZCUAVEOTJDS-UHFFFAOYSA-N
Mol Weight 171.58 g/mol
Molecular Formula C7H6ClNO2
Exact Mass 171.008706 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 2dBB6V6j2Th
Name 5-Chloro-2-nitrotoluene
Source of Sample TCI Chemicals India Pvt. Ltd.
Catalog Number C2586
Lot Number 8GFYE-P0
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 0.270611
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 -1633
Backward Peak Location 7348
Beam Splitter Setting KBr
CAS Registry Number 5367-28-2
Color Properties White-pale yellow
Container ID C-010152
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 C7H6ClNO2
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/C7H6ClNO2/c1-5-4-6(8)2-3-7(5)9(10)11/h2-4H,1H3
InChIKey NSMZCUAVEOTJDS-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
Non Linearity Correction 0
Number of Points 3795
Number of Sample Scans 32
Optical Filter Setting Open
Peak Amplitude -1668
Peak Amplitude 2nd Channel 1
Peak Location 7387
Peak Location 2nd Channel 1
Phase Correction Mode Mertz
Phase Resolution 8
Physical State Liquid
Preamplifier Gain 3
Preamplifier Gain Background 0
Purity >97.0%
Relative Humidity Interferometer 20 %
Resolution 4
SKU C2586-5G
SMILES N(=O)(=O)c1ccc(cc1C)Cl
Sample Rotations 32
Sample Scans or Time Scans
Sample Spacing Divisor 1
Sample Spacing Multiplicator 1
Scan Time 27.333 s
Scanner Temperature 28.4 °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 4-Chloro-2-methyl-1-nitrobenzene
Technique ATR-Neat
Zero Filling Factor 4