John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=EfpHhPYGJkx SpectraBase Spectrum ID=11aGtuGNOql

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5-Chloro-1-methyl-4-nitroimidazole
SpectraBase Compound ID EfpHhPYGJkx
InChI InChI=1S/C4H4ClN3O2/c1-7-2-6-4(3(7)5)8(9)10/h2H,1H3
InChIKey OSJUNMSWBBOTQU-UHFFFAOYSA-N
Mol Weight 161.55 g/mol
Molecular Formula C4H4ClN3O2
Exact Mass 160.999204 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 11aGtuGNOql
Name 5-Chloro-1-methyl-4-nitroimidazole
Source of Sample Alfa Aesar, Thermo Fisher Scientific
Catalog Number H61824
Lot Number 81202810
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 4232
Backward Peak Location 28687
Beam Splitter Setting Quartz
CAS Registry Number 4897-25-0
Calibration Lamp Spectrum Correction.0
Color Properties White
Container ID C-009753
Copyright Copyright © 2017-2020 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 C4H4ClN3O2
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/C4H4ClN3O2/c1-7-2-6-4(3(7)5)8(9)10/h2H,1H3
InChIKey OSJUNMSWBBOTQU-UHFFFAOYSA-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
Non Linearity Correction 0
Number of Points 7466
Number of Sample Scans 256
Optical Filter Setting Open
Peak Amplitude -4094
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 H61824-1G
SMILES O=N(=O)c1c([n](cn1)C)Cl
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.
SpectraBase Batch ID 5xvAXrzR7t2
Start Frequency Limit for File 5794.76 cm⁻¹
Technique FT-Raman
Zero Filling Factor 4