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5-Chloro-4-nitrothiophene-2-sulfonyl chloride
SpectraBase Compound ID BAXWfcnPXFs
InChI InChI=1S/C4HCl2NO4S2/c5-4-2(7(8)9)1-3(12-4)13(6,10)11/h1H
InChIKey SGHAHFHTASPNKN-UHFFFAOYSA-N
Mol Weight 262.08 g/mol
Molecular Formula C4HCl2NO4S2
Exact Mass 260.872405 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID LZZcJBaJmoR
Name 5-Chloro-4-nitrothiophene-2-sulfonyl chloride
Source of Sample Alfa Aesar, Thermo Fisher Scientific
Catalog Number A11779
Lot Number J8580A
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 0.270452
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 -9636
Backward Peak Location 14449
Beam Splitter Setting KBr
CAS Registry Number 58457-24-2
Color Properties Orange powder
Container ID C-008305
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 C4HCl2NO4S2
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/C4HCl2NO4S2/c5-4-2(7(8)9)1-3(12-4)13(6,10)11/h1H
InChIKey SGHAHFHTASPNKN-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 262.081 g/mol
Non Linearity Correction 0
Number of Points 15180
Number of Sample Scans 32
Optical Filter Setting Open
Peak Amplitude -9268
Peak Amplitude 2nd Channel 1
Peak Location 14507
Peak Location 2nd Channel 1
Phase Correction Mode Mertz
Phase Resolution 4
Physical State Solid
Preamplifier Gain Background 0
Purity 98%
Relative Humidity Interferometer 10 %
Resolution 2
SKU A11779-1G
SMILES O=N(=O)c1c(sc(c1)S(=O)(=O)Cl)Cl
Sample Spacing Divisor 1
Sample Spacing Multiplicator 1
Scan Time 50.041 s
Scanner Temperature 28.5 °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
Synonyms 2-Chloro-3-nitrothiophene-5-sulfonyl chloride
Technique Film
Window KBr Window
Zero Filling Factor 8