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4-Cyano-1-(trifluoroacetyl)piperidine
SpectraBase Compound ID 9u8Gt7cmB5p
InChI InChI=1S/C8H9F3N2O/c9-8(10,11)7(14)13-3-1-6(5-12)2-4-13/h6H,1-4H2
InChIKey MHJDPMGTFYYMMM-UHFFFAOYSA-N
Mol Weight 206.17 g/mol
Molecular Formula C8H9F3N2O
Exact Mass 206.066697 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 9xUEr16oXYj
Name 4-Cyano-1-(trifluoroacetyl)piperidine
Source of Sample Alfa Aesar, Thermo Fisher Scientific
Catalog Number H27521
Lot Number 10133180
Accessory DuraSample IR #145404C7
Acquisition Mode double sided, forward-backward
Actual Signal Gain 8
Actual Signal Gain 2nd Channel 1
Additional Data Treatment 1
Analog Signal 1 0.270417
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 -1927
Backward Peak Location 7369
Beam Splitter Setting KBr
CAS Registry Number 77940-79-5
Color Properties Colorless
Container ID C-009998
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 C8H9F3N2O
Frequency of First Point 3998.29 cm⁻¹
Frequency of Last Point 339.46 cm⁻¹
High Folding Limit 15800.3
High Frequency Limit 8000 cm⁻¹
High Pass Filter 0
InChI InChI=1S/C8H9F3N2O/c9-8(10,11)7(14)13-3-1-6(5-12)2-4-13/h6H,1-4H2
InChIKey MHJDPMGTFYYMMM-UHFFFAOYSA-N
Instrument Name Bruker Tensor 27 FT-IR
Laser Wavenumber 15800.3 cm⁻¹
Low Folding Limit 0
Low Frequency Limit 0
Low Pass Filter 10
Measurement Channel Sample Compartment
Molecular Weight 206.168 g/mol
Non Linearity Correction 0
Number of Points 3795
Number of Sample Scans 32
Optical Filter Setting Open
Peak Amplitude -1951
Peak Amplitude 2nd Channel 1
Peak Location 7366
Peak Location 2nd Channel 1
Phase Correction Mode Mertz
Phase Resolution 8
Preamplifier Gain 3
Preamplifier Gain Background 0
Purity 96%
Relative Humidity Interferometer 10 %
Resolution 4
SKU H27521-1G
SMILES C(F)(F)(F)C(N1CCC(CC1)C#N)=O
Sample Rotations 32
Sample Scans or Time Scans
Sample Spacing Divisor 1
Sample Spacing Multiplicator 1
Scan Time 27.293 s
Scanner Temperature 27.4 °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 1-(Trifluoroacetyl)piperidine-4-carbonitrile
Technique ATR-Neat
Zero Filling Factor 4