For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
4-Chloro-3,5-dinitrobenzonitrile
SpectraBase Compound ID LMsWsiJ1cjZ
InChI InChI=1S/C7H2ClN3O4/c8-7-5(10(12)13)1-4(3-9)2-6(7)11(14)15/h1-2H
InChIKey SCGDEDHSPCXGEC-UHFFFAOYSA-N
Mol Weight 227.56 g/mol
Molecular Formula C7H2ClN3O4
Exact Mass 226.973383 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 7e13WrZER1N
Name 4-Chloro-3,5-dinitrobenzonitrile
Source of Sample Alfa Aesar, Thermo Fisher Scientific
Catalog Number L03413
Lot Number 10178570
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 0.270507
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 -11860
Backward Peak Location 14479
Beam Splitter Setting KBr
CAS Registry Number 1930-72-9
Color Properties Yellow
Container ID C-009137
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 C7H2ClN3O4
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/C7H2ClN3O4/c8-7-5(10(12)13)1-4(3-9)2-6(7)11(14)15/h1-2H
InChIKey SCGDEDHSPCXGEC-UHFFFAOYSA-N
Instrument Name Bruker Tensor 27 FT-IR
KBr Capsule ID K-04537
Laser Wavenumber 15800.5 cm⁻¹
Low Folding Limit 0
Low Frequency Limit 0
Low Pass Filter 10
Molecular Weight 227.563 g/mol
Non Linearity Correction 0
Number of Points 15180
Number of Sample Scans 32
Optical Filter Setting Open
Peak Amplitude -11836
Peak Amplitude 2nd Channel 1
Peak Location 14476
Peak Location 2nd Channel 1
Pellet ID P-04403
Phase Correction Mode Mertz
Phase Resolution 4
Physical State Solid
Preamplifier Gain Background 0
Purity 97%
Relative Humidity Interferometer 0 %
Resolution 2
SKU L03413-1G
SMILES O=N(=O)c1cc(cc(c1Cl)N(=O)=O)C#N
Sample Capsule ID S-04537
Sample Spacing Divisor 1
Sample Spacing Multiplicator 1
Scan Time 50.054 s
Scanner Temperature 30.4 °C
Scanner Velocity 10 kHz
Signal Gain, Background automatic
Source of Spectrum Bio-Rad Laboratories, Inc.
Start Frequency Limit for File 4000 cm⁻¹
Technique KBr1
Zero Filling Factor 8