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2-Amino-3-bromo-5-nitrobenzonitrile
SpectraBase Compound ID 2Fm5shUi4lb
InChI InChI=1S/C7H4BrN3O2/c8-6-2-5(11(12)13)1-4(3-9)7(6)10/h1-2H,10H2
InChIKey MUHLVSZIVTURCZ-UHFFFAOYSA-N
Mol Weight 242.03 g/mol
Molecular Formula C7H4BrN3O2
Exact Mass 240.948689 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 3tSMSUGanki
Name 2-Amino-3-bromo-5-nitrobenzonitrile
Source of Sample Alfa Aesar, Thermo Fisher Scientific
Catalog Number B25404
Lot Number 10101781
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 0.270596
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 -11461
Backward Peak Location 14480
Beam Splitter Setting KBr
CAS Registry Number 17601-94-4
Color Properties Yellow
Container ID C-009170
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 C7H4BrN3O2
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/C7H4BrN3O2/c8-6-2-5(11(12)13)1-4(3-9)7(6)10/h1-2H,10H2
InChIKey MUHLVSZIVTURCZ-UHFFFAOYSA-N
Instrument Name Bruker Tensor 27 FT-IR
KBr Capsule ID K-04574
Laser Wavenumber 15800.5 cm⁻¹
Low Folding Limit 0
Low Frequency Limit 0
Low Pass Filter 10
Molecular Weight 242.032 g/mol
Non Linearity Correction 0
Number of Points 15180
Number of Sample Scans 32
Optical Filter Setting Open
Peak Amplitude -11816
Peak Amplitude 2nd Channel 1
Peak Location 14476
Peak Location 2nd Channel 1
Pellet ID P-04420
Phase Correction Mode Mertz
Phase Resolution 4
Physical State Solid
Preamplifier Gain Background 0
Purity 98%
Relative Humidity Interferometer 10 %
Resolution 2
SKU B25404-1G
SMILES O=N(=O)c1cc(c(c(c1)C#N)N)Br
Sample Capsule ID S-04574
Sample Spacing Divisor 1
Sample Spacing Multiplicator 1
Scan Time 50.05 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
Synonyms 2-Bromo-6-cyano-4-nitroaniline
Technique KBr1
Zero Filling Factor 8