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2-Iodobenzonitrile
SpectraBase Compound ID 5idevJK6r5J
InChI InChI=1S/C7H4IN/c8-7-4-2-1-3-6(7)5-9/h1-4H
InChIKey JDDAFHUEOVUDFJ-UHFFFAOYSA-N
Mol Weight 229.02 g/mol
Molecular Formula C7H4IN
Exact Mass 228.938844 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID FX0e0XSTZt3
Name 2-Iodobenzonitrile
Source of Sample Acros Organics
Catalog Number 391800010
Lot Number A0363006
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 0.270397
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 -11040
Backward Peak Location 14449
Beam Splitter Setting KBr
CAS Registry Number 4387-36-4
Color Properties Yellow
Container ID C-008652
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 C7H4IN
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/C7H4IN/c8-7-4-2-1-3-6(7)5-9/h1-4H
InChIKey JDDAFHUEOVUDFJ-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 229.020 g/mol
Non Linearity Correction 0
Number of Points 15180
Number of Sample Scans 32
Optical Filter Setting Open
Peak Amplitude -10427
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 99%
Relative Humidity Interferometer 10 %
Resolution 2
SKU 391800010-1GR
SMILES c1c(c(ccc1)I)C#N
Sample Spacing Divisor 1
Sample Spacing Multiplicator 1
Scan Time 50.044 s
Scanner Temperature 28.4 °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-Cyano-1-iodobenzene
Technique Film
Window KBr Window
Zero Filling Factor 8