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5-Nitrothiophene-2-carbonitrile
SpectraBase Compound ID 7GnmjkDzwpl
InChI InChI=1S/C5H2N2O2S/c6-3-4-1-2-5(10-4)7(8)9/h1-2H
InChIKey FLYONFCGDKAMIH-UHFFFAOYSA-N
Mol Weight 154.14 g/mol
Molecular Formula C5H2N2O2S
Exact Mass 153.983698 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID AdpUhf6g4DR
Name 5-Nitrothiophene-2-carbonitrile
Source of Sample Alfa Aesar, Thermo Fisher Scientific
Catalog Number L11058
Lot Number 10137562
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 0.27022
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 -9271
Backward Peak Location 14479
Beam Splitter Setting KBr
CAS Registry Number 16689-02-4
Color Properties Yellow
Container ID C-008146
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 C5H2N2O2S
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/C5H2N2O2S/c6-3-4-1-2-5(10-4)7(8)9/h1-2H
InChIKey FLYONFCGDKAMIH-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 154.143 g/mol
Non Linearity Correction 0
Number of Points 15180
Number of Sample Scans 32
Optical Filter Setting Open
Peak Amplitude -9230
Peak Amplitude 2nd Channel 1
Peak Location 14476
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 L11058-1G
SMILES O=N(=O)c1sc(cc1)C#N
Sample Spacing Divisor 1
Sample Spacing Multiplicator 1
Scan Time 50.086 s
Scanner Temperature 25.8 °C
Scanner Velocity 10 kHz
Signal Gain, Background automatic
Source of Spectrum Bio-Rad Laboratories, Inc.
Start Frequency Limit for File 4000 cm⁻¹
Synonyms 2-Cyano-5-nitrothiophene
Technique Melt (Crystalline)
Window KBr Window
Zero Filling Factor 8