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(S)-4-Phenyl-3-[5-(4-fluorophenyl)-5-oxopentanoyl]-2-oxazolidinone
SpectraBase Compound ID Bs5uIPO6Xx2
InChI InChI=1S/C20H18FNO4/c21-16-11-9-15(10-12-16)18(23)7-4-8-19(24)22-17(13-26-20(22)25)14-5-2-1-3-6-14/h1-3,5-6,9-12,17H,4,7-8,13H2/t17-/m1/s1
InChIKey XXSSRSVXDNUAQX-QGZVFWFLSA-N
Mol Weight 355.37 g/mol
Molecular Formula C20H18FNO4
Exact Mass 355.121986 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID ADSOhSMgIpB
Name (S)-4-Phenyl-3-[5-(4-fluorophenyl)-5-oxopentanoyl]-2-oxazolidinone
Source of Sample TCI Chemicals India Pvt. Ltd.
Catalog Number P2111
Lot Number 0TT3E-AE
Acquisition Mode double sided, forward-backward
Actual Signal Gain 1
Actual Signal Gain 2nd Channel 1
Additional Data Treatment 1
Analog Signal 1 0.222551
Analog Signal 2 0
Aperture Setting 2.5 mm
Apodization Function Norton-Beer, medium
Background Peak Amplitude 2nd Channel 1
Background Peak Location 2nd Channel 1
Backward Peak Amplitude 3004
Backward Peak Location 28681
Beam Splitter Setting Quartz
CAS Registry Number 189028-93-1
Calibration Lamp Spectrum Correction.0
Container ID C-010052
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 C20H18FNO4
Frequency of First Point 3597.77 cm⁻¹
Frequency of Last Point -0.855506 cm⁻¹
High Folding Limit 31596.9
High Frequency Limit 30000 cm⁻¹
High Pass Filter 1
InChI InChI=1S/C20H18FNO4/c21-16-11-9-15(10-12-16)18(23)7-4-8-19(24)22-17(13-26-20(22)25)14-5-2-1-3-6-14/h1-3,5-6,9-12,17H,4,7-8,13H2/t17-/m1/s1
InChIKey XXSSRSVXDNUAQX-QGZVFWFLSA-N
Instrument Name Bruker MultiRAM Stand Alone FT-Raman Spectrometer
Laser Wavenumber 15798.5 cm⁻¹
Low Folding Limit 0
Low Frequency Limit 0
Low Pass Filter 5
Measurement Channel Raman Compartment
Molecular Weight 355.365 g/mol
Non Linearity Correction 0
Number of Points 7465
Number of Sample Scans 252
Optical Filter Setting Open
Peak Amplitude -2932
Peak Amplitude 2nd Channel 1
Peak Location 28699
Peak Location 2nd Channel 1
Phase Correction Mode power spectrum
Phase Resolution 1
Physical State Solid
Preamplifier Gain 0
Purity >98.0%
Raman Background Corrected Yes
Raman Corrections Referenced to internal light source; Scattering corrected
Raman Laser Source Nd:YAG
Raman Scattering Corrected Yes
Relative Humidity Interferometer 30 %
Resolution 2
SKU P2111-5G
SMILES C1OC(N([C@]1(c1ccccc1)[H])C(CCCC(=O)c1ccc(cc1)F)=O)=O
Sample Scans or Time Scans
Sample Spacing Divisor 1
Sample Spacing Multiplicator 2
Scan Time 794.625 s
Scanner Temperature 26.3 °C
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 (4S)-3-[5-(4-Fluorophenyl)-1,5-dioxopenyl]-4-phenyl-2-oxazolidinone; 1-(4-Fluorophenyl)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentane-1,5-dione
Technique FT-Raman
Temperature of Calibration Lamp 2300
Zero Filling Factor 4