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Benzoylacetonitrile
SpectraBase Compound ID 37wjT59YLXq
InChI InChI=1S/C9H7NO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5H,6H2
InChIKey ZJRCIQAMTAINCB-UHFFFAOYSA-N
Mol Weight 145.16 g/mol
Molecular Formula C9H7NO
Exact Mass 145.052764 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 9MhG577x97F
Name Benzoylacetonitrile
Source of Sample TCI Chemicals India Pvt. Ltd.
Catalog Number B0098
Lot Number F38ZN-KO
Accessory DuraSample IR #145404C7
Acquisition Mode double sided, forward-backward
Actual Signal Gain 16
Actual Signal Gain 2nd Channel 1
Additional Data Treatment 1
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 Rotations 32
Background Scans 32
Background Scans or Time Scans
Backward Peak Amplitude -1428
Backward Peak Location 7370
Beam Splitter Setting KBr
CAS Registry Number 614-16-4
Color Properties White-pale yellow
Container ID C-010412
Copyright Copyright © 2018-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Point Format 1
Delay Before Measurement 1 s
Detector Setting RT-DLaTGS [Internal]
End Frequency Limit for File 340
External Synchronization Off
Focal Length 100
Formula C9H7NO
Frequency of First Point 3998.31 cm⁻¹
Frequency of Last Point 339.461 cm⁻¹
High Folding Limit 15800.4
High Frequency Limit 8000 cm⁻¹
High Pass Filter 0
InChI InChI=1S/C9H7NO/c10-7-6-9(11)8-4-2-1-3-5-8/h1-5H,6H2
InChIKey ZJRCIQAMTAINCB-UHFFFAOYSA-N
Instrument Name Bruker Tensor 27 FT-IR
Laser Wavenumber 15800.4 cm⁻¹
Low Folding Limit 0
Low Frequency Limit 0
Low Pass Filter 10
Measurement Channel Sample Compartment
Molecular Weight 145.161 g/mol
Non Linearity Correction 0
Number of Points 3795
Number of Sample Scans 32
Optical Filter Setting Open
Peak Amplitude -1389
Peak Amplitude 2nd Channel 1
Peak Location 7366
Peak Location 2nd Channel 1
Phase Correction Mode Mertz
Phase Resolution 8
Physical State Solid
Preamplifier Gain 3
Preamplifier Gain Background 0
Purity >98.0%
Relative Humidity Interferometer 10 %
Resolution 4
SKU B0098-5G
SMILES c1ccccc1C(CC#N)=O
Sample Comments Sample ground at metal edge of ATR
Sample Rotations 32
Sample Scans or Time Scans
Sample Spacing Divisor 1
Sample Spacing Multiplicator 1
Scan Time 27.299 s
Scanner Temperature 30.3 °C
Scanner Velocity 10 kHz
Signal Gain, Background automatic
Signal Gain, Sample automatic
Source of Spectrum Bio-Rad Laboratories, Inc.
Start Frequency Limit for File 4000 cm⁻¹
Synonyms 2-Cyanoacetophenone; 3-Oxo-3-phenylpropanenitrile
Technique ATR-Neat
Zero Filling Factor 4