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3-[3-(Trifluoromethyl)phenyl]propanol
SpectraBase Compound ID KeNEj70Npq
InChI InChI=1S/C10H11F3O/c11-10(12,13)9-5-1-3-8(7-9)4-2-6-14/h1,3,5,7,14H,2,4,6H2
InChIKey QWXKQVIMGVVIBX-UHFFFAOYSA-N
Mol Weight 204.19 g/mol
Molecular Formula C10H11F3O
Exact Mass 204.076199 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 1WXt726cX04
Name 3-[3-(Trifluoromethyl)phenyl]propanol
Source of Sample Alfa Aesar, Thermo Fisher Scientific
Catalog Number H64553
Lot Number 81301974
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 0.270946
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 -11362
Backward Peak Location 14481
Beam Splitter Setting KBr
CAS Registry Number 78573-45-2
Color Properties Colorless
Container ID C-009933
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 C10H11F3O
Frequency of First Point 3999.74 cm⁻¹
Frequency of Last Point 339.942 cm⁻¹
High Folding Limit 15800.3
High Frequency Limit 8000 cm⁻¹
High Pass Filter 0
InChI InChI=1S/C10H11F3O/c11-10(12,13)9-5-1-3-8(7-9)4-2-6-14/h1,3,5,7,14H,2,4,6H2
InChIKey QWXKQVIMGVVIBX-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
Molecular Weight 204.192 g/mol
Non Linearity Correction 0
Number of Points 15181
Number of Sample Scans 32
Optical Filter Setting Open
Peak Amplitude -11930
Peak Amplitude 2nd Channel 1
Peak Location 14475
Peak Location 2nd Channel 1
Phase Correction Mode Mertz
Phase Resolution 4
Physical State Liquid
Preamplifier Gain Background 0
Purity 98%
Relative Humidity Interferometer 20 %
Resolution 2
SKU H64553-1G
SMILES OCCCc1cc(ccc1)C(F)(F)F
Sample Spacing Divisor 1
Sample Spacing Multiplicator 1
Scan Time 50.041 s
Scanner Temperature 33.5 °C
Scanner Velocity 10 kHz
Signal Gain, Background automatic
Source of Spectrum Bio-Rad Laboratories, Inc.
Start Frequency Limit for File 4000 cm⁻¹
Technique Neat
Window KBr Window - 1 Side
Zero Filling Factor 8