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Methyl perfluorobutyrate
SpectraBase Compound ID BimhhMnVEPM
InChI InChI=1S/C5H3F7O2/c1-14-2(13)3(6,7)4(8,9)5(10,11)12/h1H3
InChIKey MRPUVAKBXDBGJQ-UHFFFAOYSA-N
Mol Weight 228.07 g/mol
Molecular Formula C5H3F7O2
Exact Mass 228.002126 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID JyaxWHC4qcz
Name Methyl heptafluorobutyrate
Source of Sample TCI Chemicals India Pvt. Ltd.
Catalog Number H1033
Lot Number 8XIH0-RP
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 0.27054
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 -2300
Backward Peak Location 7359
Beam Splitter Setting KBr
CAS Registry Number 356-24-1
Color Properties Colorless
Container ID C-010037
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 C5H3F7O2
Frequency of First Point 3998.29 cm⁻¹
Frequency of Last Point 339.459 cm⁻¹
High Folding Limit 15800.3
High Frequency Limit 8000 cm⁻¹
High Pass Filter 0
InChI InChI=1S/C5H3F7O2/c1-14-2(13)3(6,7)4(8,9)5(10,11)12/h1H3
InChIKey MRPUVAKBXDBGJQ-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 228.066 g/mol
Non Linearity Correction 0
Number of Points 3795
Number of Sample Scans 32
Optical Filter Setting Open
Peak Amplitude -2406
Peak Amplitude 2nd Channel 1
Peak Location 7377
Peak Location 2nd Channel 1
Phase Correction Mode Mertz
Phase Resolution 8
Physical State Liquid
Preamplifier Gain 3
Preamplifier Gain Background 0
Purity >97.0%
Relative Humidity Interferometer 20 %
Resolution 4
SKU H1033-5G
SMILES FC(F)(F)C(C(C(OC)=O)(F)F)(F)F
Sample Rotations 32
Sample Scans or Time Scans
Sample Spacing Divisor 1
Sample Spacing Multiplicator 1
Scan Time 27.301 s
Scanner Temperature 29.6 °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 Heptafluorobutyric acid methyl ester; Methyl perfluorobutyrate
Technique ATR-Neat
Zero Filling Factor 4