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2-Nitromesitylene
SpectraBase Compound ID 4TrJgMMKwoW
InChI InChI=1S/C9H11NO2/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5H,1-3H3
InChIKey SCEKDQTVGHRSNS-UHFFFAOYSA-N
Mol Weight 165.19 g/mol
Molecular Formula C9H11NO2
Exact Mass 165.078979 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID jYqmbyINhe
Name 2-Nitromesitylene
Source of Sample Acros Organics
Catalog Number 453070010
Lot Number 341343
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 0.270438
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 -9741
Backward Peak Location 14449
Beam Splitter Setting KBr
CAS Registry Number 603-71-4
Color Properties Cream to yellow
Container ID C-008849
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 C9H11NO2
Frequency of First Point 3999.54 cm⁻¹
Frequency of Last Point 339.945 cm⁻¹
High Folding Limit 15800.5
High Frequency Limit 8000 cm⁻¹
High Pass Filter 0
InChI InChI=1S/C9H11NO2/c1-6-4-7(2)9(10(11)12)8(3)5-6/h4-5H,1-3H3
InChIKey SCEKDQTVGHRSNS-UHFFFAOYSA-N
Instrument Name Bruker Tensor 27 FT-IR
Laser Wavenumber 15800.5 cm⁻¹
Low Folding Limit 0
Low Frequency Limit 0
Low Pass Filter 10
Molecular Weight 165.192 g/mol
Non Linearity Correction 0
Number of Points 15180
Number of Sample Scans 32
Optical Filter Setting Open
Peak Amplitude -9187
Peak Amplitude 2nd Channel 1
Peak Location 14507
Peak Location 2nd Channel 1
Phase Correction Mode Mertz
Phase Resolution 4
Physical State Solid
Preamplifier Gain Background 0
Purity 99%
Relative Humidity Interferometer 20 %
Resolution 2
SKU 453070010-1GR
SMILES N(=O)(=O)c1c(cc(cc1C)C)C
Sample Spacing Divisor 1
Sample Spacing Multiplicator 1
Scan Time 50.046 s
Scanner Temperature 27.4 °C
Scanner Velocity 10 kHz
Signal Gain, Background automatic
Source of Spectrum Bio-Rad Laboratories, Inc.
Start Frequency Limit for File 4000 cm⁻¹
Synonyms 1,3,5-Trimethyl-2-nitrobenzene
Technique Melt (Crystalline)
Window KBr Window
Zero Filling Factor 8