John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=JJUf3wrp1M0 SpectraBase Spectrum ID=29TRO3LmyMz

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3,4-Diaminobenzonitrile
SpectraBase Compound ID JJUf3wrp1M0
InChI InChI=1S/C7H7N3/c8-4-5-1-2-6(9)7(10)3-5/h1-3H,9-10H2
InChIKey VWLLPPSBBHDXHK-UHFFFAOYSA-N
Mol Weight 133.15 g/mol
Molecular Formula C7H7N3
Exact Mass 133.063997 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 29TRO3LmyMz
Name 3,4-Diaminobenzonitrile
Source of Sample TCI Chemicals India Pvt. Ltd.
Catalog Number D5194
Lot Number T4LLG-HF
Accessory DuraSample IR #145404C7
Acquisition Mode double sided, forward-backward
Actual Signal Gain 8
Actual Signal Gain 2nd Channel 1
Additional Data Treatment 1
Analog Signal 1 0.270367
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 Rotations 32
Background Scans 32
Background Scans or Time Scans
Backward Peak Amplitude -1912
Backward Peak Location 7370
Beam Splitter Setting KBr
CAS Registry Number 17626-40-3
Color Properties Yellow
Container ID C-009449
Copyright Copyright © 2018-2021 John Wiley & Sons, Inc. All Rights Reserved.
Data Point Format 1
Delay Before Measurement 1 s
Detector Setting RT-DLaTGS [Internal]
End Frequency Limit for File 340
External Synchronization Off
Focal Length 100
Formula C7H7N3
Frequency of First Point 3998.34 cm⁻¹
Frequency of Last Point 339.463 cm⁻¹
High Folding Limit 15800.5
High Frequency Limit 8000 cm⁻¹
High Pass Filter 0
InChI InChI=1S/C7H7N3/c8-4-5-1-2-6(9)7(10)3-5/h1-3H,9-10H2
InChIKey VWLLPPSBBHDXHK-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
Measurement Channel Sample Compartment
Molecular Weight 133.154 g/mol
Non Linearity Correction 0
Number of Points 3795
Number of Sample Scans 32
Optical Filter Setting Open
Peak Amplitude -2035
Peak Amplitude 2nd Channel 1
Peak Location 7366
Peak Location 2nd Channel 1
Phase Correction Mode Mertz
Phase Resolution 8
Physical State Solid
Preamplifier Gain 3
Preamplifier Gain Background 0
Purity 98%
Relative Humidity Interferometer 10 %
Resolution 4
SKU D5194-1G
SMILES Nc1ccc(cc1N)C#N
Sample Comments Sample ground at metal edge of ATR
Sample Rotations 32
Sample Scans or Time Scans
Sample Spacing Divisor 1
Sample Spacing Multiplicator 1
Scan Time 27.31 s
Scanner Temperature 27.1 °C
Scanner Velocity 10 kHz
Signal Gain, Background automatic
Signal Gain, Sample automatic
Source of Spectrum Bio-Rad Laboratories, Inc.
SpectraBase Batch ID IgX1WRCHUwi
Start Frequency Limit for File 4000 cm⁻¹
Synonyms 4-Cyanobenzene-1,2-diamine
Technique ATR-Neat
Zero Filling Factor 4