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alpha-CHLORO-o-NITROTOLUENE
SpectraBase Compound ID HrfE1bNBWnp
InChI InChI=1S/C7H6ClNO2/c8-5-6-3-1-2-4-7(6)9(10)11/h1-4H,5H2
InChIKey BXCBUWKTXLWPSB-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 C1vtP8E2xHf
Name 2-Nitrobenzyl chloride
Source of Sample TCI Chemicals India Pvt. Ltd.
Catalog Number N0182
Lot Number 5WQVJ-FC
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 0.270649
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 -1533
Backward Peak Location 7353
Beam Splitter Setting KBr
CAS Registry Number 612-23-7
Color Properties Light yellow
Container ID C-010103
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/c8-5-6-3-1-2-4-7(6)9(10)11/h1-4H,5H2
InChIKey BXCBUWKTXLWPSB-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
Melting Point 47.0 - 50.0 °C
Molecular Weight 171.583 g/mol
Non Linearity Correction 0
Number of Points 3795
Number of Sample Scans 32
Optical Filter Setting Open
Peak Amplitude -1661
Peak Amplitude 2nd Channel 1
Peak Location 7383
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 20 %
Resolution 4
SKU N0182-5G
SMILES N(=O)(=O)c1ccccc1CCl
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 27.312 s
Scanner Temperature 29 °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-Chloro-2-nitrotoluene; 1-(Chloromethyl)-2-nitrobenzene
Technique ATR-Neat
Zero Filling Factor 4