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2-Chlorobenzoylacetonitrile
SpectraBase Compound ID 9AUI6OeWuBL
InChI InChI=1S/C9H6ClNO/c10-8-4-2-1-3-7(8)9(12)5-6-11/h1-4H,5H2
InChIKey SBSWHTFHLWSSQS-UHFFFAOYSA-N
Mol Weight 179.61 g/mol
Molecular Formula C9H6ClNO
Exact Mass 179.013792 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 3JZBi9qIJ1q
Name 2-Chlorobenzoylacetonitrile
Source of Sample Alfa Aesar, Thermo Fisher Scientific
Catalog Number A13611
Lot Number 10161637
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 0.270491
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 -10851
Backward Peak Location 14480
Beam Splitter Setting KBr
CAS Registry Number 40018-25-5
Color Properties Yellowish color
Container ID C-008809
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 C9H6ClNO
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/C9H6ClNO/c10-8-4-2-1-3-7(8)9(12)5-6-11/h1-4H,5H2
InChIKey SBSWHTFHLWSSQS-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 179.606 g/mol
Non Linearity Correction 0
Number of Points 15180
Number of Sample Scans 32
Optical Filter Setting Open
Peak Amplitude -11230
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 20 %
Resolution 2
SKU A13611-5G
SMILES c1c(c(ccc1)Cl)C(CC#N)=O
Sample Spacing Divisor 1
Sample Spacing Multiplicator 1
Scan Time 50.04 s
Scanner Temperature 30 °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 3-(2-Chlorophenyl)-3-oxopropanenitrile
Technique Film
Window KBr Window
Zero Filling Factor 8