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5-Chloro-2-methylbenzothiazole
SpectraBase Compound ID 7qecNvE3CYd
InChI InChI=1S/C8H6ClNS/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H3
InChIKey XCALAYIRFYALSX-UHFFFAOYSA-N
Mol Weight 183.66 g/mol
Molecular Formula C8H6ClNS
Exact Mass 182.990948 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID I9Jc17H6AIG
Name 5-Chloro-2-methylbenzothiazole
Source of Sample Alfa Aesar, Thermo Fisher Scientific
Catalog Number H55743
Lot Number 81202636
Accessory TRANS *14560FA0
Acquisition Mode double sided, forward-backward
Actual Signal Gain 2
Actual Signal Gain 2nd Channel 1
Additional Data Treatment 0
Analog Signal 1 0.2706
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 Scans 32
Background Scans or Time Scans
Backward Peak Amplitude -10448
Backward Peak Location 14491
Beam Splitter Setting KBr
CAS Registry Number 1006-99-1
Color Properties White
Container ID C-009227
Copyright Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Point Format 1
Delay Before Measurement 0 s
Detector Setting RT-DLaTGS [Internal]
End Frequency Limit for File 340
External Synchronization Off
Focal Length 100
Formula C8H6ClNS
Frequency of First Point 3999.54 cm⁻¹
Frequency of Last Point 339.945 cm⁻¹
High Folding Limit 15800.5
High Frequency Limit 8000 cm⁻¹
High Pass Filter 0
InChI InChI=1S/C8H6ClNS/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H3
InChIKey XCALAYIRFYALSX-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
Molecular Weight 183.656 g/mol
Non Linearity Correction 0
Number of Points 15180
Number of Sample Scans 32
Optical Filter Setting Open
Peak Amplitude -10787
Peak Amplitude 2nd Channel 1
Peak Location 14465
Peak Location 2nd Channel 1
Phase Correction Mode Mertz
Phase Resolution 4
Physical State Solid
Preamplifier Gain Background 0
Purity 98%
Relative Humidity Interferometer 20 %
Resolution 2
SKU H55743-1G
SMILES c12cc(ccc1sc(n2)C)Cl
Sample Spacing Divisor 1
Sample Spacing Multiplicator 1
Scan Time 50.042 s
Scanner Temperature 29.7 °C
Scanner Velocity 10 kHz
Signal Gain, Background automatic
Solvent Dichloromethane
Source of Spectrum Bio-Rad Laboratories, Inc.
Start Frequency Limit for File 4000 cm⁻¹
Technique Film
Window KBr Window
Zero Filling Factor 8