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3,4-Dihydroxy benzonitrile
SpectraBase Compound ID FX2OUJUvVug
InChI InChI=1S/C7H5NO2/c8-4-5-1-2-6(9)7(10)3-5/h1-3,9-10H
InChIKey NUWHYWYSMAPBHK-UHFFFAOYSA-N
Mol Weight 135.12 g/mol
Molecular Formula C7H5NO2
Exact Mass 135.032028 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 3EbTIbykQ7v
Name 3,4-Dihydroxybenzonitrile
Source of Sample Alfa Aesar, Thermo Fisher Scientific
Catalog Number A14783
Lot Number H2542A
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 0.270564
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 -10647
Backward Peak Location 14479
Beam Splitter Setting KBr
CAS Registry Number 17345-61-8
Color Properties White
Container ID C-009115
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 C7H5NO2
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/C7H5NO2/c8-4-5-1-2-6(9)7(10)3-5/h1-3,9-10H
InChIKey NUWHYWYSMAPBHK-UHFFFAOYSA-N
Instrument Name Bruker Tensor 27 FT-IR
KBr Capsule ID K-04527
Laser Wavenumber 15800.5 cm⁻¹
Low Folding Limit 0
Low Frequency Limit 0
Low Pass Filter 10
Molecular Weight 135.122 g/mol
Non Linearity Correction 0
Number of Points 15180
Number of Sample Scans 32
Optical Filter Setting Open
Peak Amplitude -10601
Peak Amplitude 2nd Channel 1
Peak Location 14476
Peak Location 2nd Channel 1
Pellet ID P-04393
Phase Correction Mode Mertz
Phase Resolution 4
Physical State Solid
Preamplifier Gain Background 0
Purity 97%
Relative Humidity Interferometer 0 %
Resolution 2
SKU A14783-1G
SMILES Oc1ccc(cc1O)C#N
Sample Capsule ID S-04527
Sample Spacing Divisor 1
Sample Spacing Multiplicator 1
Scan Time 50.055 s
Scanner Temperature 29.8 °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 Protocatechuonitrile; 4-Cyanocatechol
Technique KBr1
Zero Filling Factor 8