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4-Chloro-3-fluorocinnamic acid
SpectraBase Compound ID 9OgBAoeHEJU
InChI InChI=1S/C9H6ClFO2/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5H,(H,12,13)/b4-2+
InChIKey MNELKRQRBRYHBV-DUXPYHPUSA-N
Mol Weight 200.6 g/mol
Molecular Formula C9H6ClFO2
Exact Mass 200.004035 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID ALv5fAr68ut
Name 4-Chloro-3-fluorocinnamic acid
Source of Sample Alfa Aesar, Thermo Fisher Scientific
Catalog Number H32636
Lot Number 10157577
Acquisition Mode double sided, forward-backward
Actual Signal Gain 2
Additional Data Treatment 1
Aperture Setting 2.5 mm
Apodization Function Norton-Beer, medium
Backward Peak Amplitude 3662
Backward Peak Location 28687
Beam Splitter Setting Quartz
CAS Registry Number 202982-66-9
Calibration Lamp Spectrum Correction.0
Color Properties White
Container ID C-009920
Copyright Copyright © 2017-2024 John Wiley & Sons, Inc. All Rights Reserved.
Data Point Format 1
Delay Before Measurement 15 s
Detector Setting LN-Ge Diode [Internal Pos.2]
End Frequency Limit for File 9394.3
External Analog Signals Off
External Synchronization Off
Focal Length 100
Formula C9H6ClFO2
Frequency of First Point 3597.79 cm⁻¹
Frequency of Last Point -1.31092 cm⁻¹
High Folding Limit 31596.8
High Frequency Limit 30000 cm⁻¹
High Pass Filter 1
InChI InChI=1S/C9H6ClFO2/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5H,(H,12,13)/b4-2+
InChIKey MNELKRQRBRYHBV-DUXPYHPUSA-N
Instrument Name Bruker MultiRAM Stand Alone FT-Raman Spectrometer
Laser Wavenumber 15798.4 cm⁻¹
Low Folding Limit 0
Low Frequency Limit 0
Low Pass Filter 5
Measurement Channel Raman Compartment
Molecular Weight 200.596 g/mol
Non Linearity Correction 0
Number of Points 7466
Number of Sample Scans 240
Optical Filter Setting Open
Peak Amplitude -3578
Peak Location 28693
Phase Correction Mode power spectrum
Phase Resolution 1
Physical State Solid
Preamplifier Gain 0
Purity 95%
Raman Background Corrected Yes
Raman Corrections Referenced to internal light source; Scattering corrected
Raman Laser Source Nd:YAG
Raman Scattering Corrected Yes
Resolution 2
SKU H32636-1G
SMILES OC(\C=C\c1cc(c(cc1)Cl)F)=O
Sample Scans or Time Scans
Sample Spacing Divisor 1
Sample Spacing Multiplicator 2
Scan Time 0 s
Scanner Velocity 5 kHz
Signal Gain, Sample 2
Source of Spectrum Bio-Rad Laboratories, Inc.
Start Frequency Limit for File 5794.76 cm⁻¹
Synonyms (E)-3-(4-Chloro-3-fluorophenyl)prop-2-enoic acid
Technique FT-Raman
Zero Filling Factor 4