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3-Amino-4-fluorobenzoic acid
SpectraBase Compound ID 9FSGavZ1CV0
InChI InChI=1S/C7H6FNO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,9H2,(H,10,11)
InChIKey WFSPEVFSRUTRCN-UHFFFAOYSA-N
Mol Weight 155.13 g/mol
Molecular Formula C7H6FNO2
Exact Mass 155.038257 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 5wuPIb5fWXv
Name 3-Amino-4-fluorobenzoic acid
Source of Sample Alfa Aesar, Thermo Fisher Scientific
Catalog Number H61233
Lot Number 81202967
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 0.2705
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 -10186
Backward Peak Location 14473
Beam Splitter Setting KBr
CAS Registry Number 2365-85-7
Color Properties Off-white
Container ID C-009219
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 C7H6FNO2
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/C7H6FNO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,9H2,(H,10,11)
InChIKey WFSPEVFSRUTRCN-UHFFFAOYSA-N
Instrument Name Bruker Tensor 27 FT-IR
KBr Capsule ID K-04604
Laser Wavenumber 15800.5 cm⁻¹
Low Folding Limit 0
Low Frequency Limit 0
Low Pass Filter 10
Molecular Weight 155.128 g/mol
Non Linearity Correction 0
Number of Points 15180
Number of Sample Scans 32
Optical Filter Setting Open
Peak Amplitude -9617
Peak Amplitude 2nd Channel 1
Peak Location 14483
Peak Location 2nd Channel 1
Pellet ID P-04431
Phase Correction Mode Mertz
Phase Resolution 4
Physical State Solid
Preamplifier Gain Background 0
Purity 97%
Relative Humidity Interferometer 10 %
Resolution 2
SKU H61233-1G
SMILES OC(c1cc(c(cc1)F)N)=O
Sample Capsule ID S-04604
Sample Spacing Divisor 1
Sample Spacing Multiplicator 1
Scan Time 50.039 s
Scanner Temperature 29.6 °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 5-Carboxy-2-fluoroaniline
Technique KBr1
Zero Filling Factor 8