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1,1,1,3,3,3-Hexafluoroisopropyl p-toluenesulfonate
SpectraBase Compound ID Czdf7uTC3JN
InChI InChI=1S/C10H8F6O3S/c1-6-2-4-7(5-3-6)20(17,18)19-8(9(11,12)13)10(14,15)16/h2-5,8H,1H3
InChIKey QGSVBFAODCJVIZ-UHFFFAOYSA-N
Mol Weight 322.22 g/mol
Molecular Formula C10H8F6O3S
Exact Mass 322.009834 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 3L0zWUCBVgb
Name 1,1,1,3,3,3-Hexafluoroisopropyl p-toluenesulfonate
Source of Sample TCI Chemicals India Pvt. Ltd.
Catalog Number H1281
Lot Number 75ADA-MM
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 0.270532
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 -1414
Backward Peak Location 7370
Beam Splitter Setting KBr
CAS Registry Number 67674-48-0
Color Properties White - Very pale yellow
Container ID C-010333
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 C10H8F6O3S
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/C10H8F6O3S/c1-6-2-4-7(5-3-6)20(17,18)19-8(9(11,12)13)10(14,15)16/h2-5,8H,1H3
InChIKey QGSVBFAODCJVIZ-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 322.221 g/mol
Non Linearity Correction 0
Number of Points 3795
Number of Sample Scans 32
Optical Filter Setting Open
Peak Amplitude -1444
Peak Amplitude 2nd Channel 1
Peak Location 7365
Peak Location 2nd Channel 1
Phase Correction Mode Mertz
Phase Resolution 8
Preamplifier Gain 3
Preamplifier Gain Background 0
Purity >98.0%
Relative Humidity Interferometer 0 %
Resolution 4
SKU H1281-5G
SMILES C(F)(F)(F)C(OS(c1ccc(cc1)C)(=O)=O)C(F)(F)F
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 27.3 s
Scanner Temperature 29.1 °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 1,1,1,3,3,3-Hexafluoroisopropyl tosylate; p-Toluenesulfonic acid 1,1,1,3,3,3-hexafluoroisopropyl ester
Technique ATR-Neat
Zero Filling Factor 4