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Methyl 3,5-dichlorobenzoate
SpectraBase Compound ID J04Q4rrhdU6
InChI InChI=1S/C8H6Cl2O2/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4H,1H3
InChIKey BTEVDFJXGLQUDS-UHFFFAOYSA-N
Mol Weight 205.04 g/mol
Molecular Formula C8H6Cl2O2
Exact Mass 203.974485 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID C3b69zk859p
Name Methyl 3,5-dichlorobenzoate
Source of Sample Alfa Aesar, Thermo Fisher Scientific
Catalog Number B25311
Lot Number 10171976
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 0.270399
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 -9834
Backward Peak Location 14480
Beam Splitter Setting KBr
CAS Registry Number 2905-67-1
Color Properties White
Container ID C-008866
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 C8H6Cl2O2
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/C8H6Cl2O2/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4H,1H3
InChIKey BTEVDFJXGLQUDS-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
Molecular Weight 205.040 g/mol
Non Linearity Correction 0
Number of Points 15180
Number of Sample Scans 32
Optical Filter Setting Open
Peak Amplitude -9706
Peak Amplitude 2nd Channel 1
Peak Location 14477
Peak Location 2nd Channel 1
Phase Correction Mode Mertz
Phase Resolution 4
Physical State Solid
Preamplifier Gain Background 0
Purity 98%
Relative Humidity Interferometer 20 %
Resolution 2
SKU B25311-5G
SMILES c1c(cc(cc1C(OC)=O)Cl)Cl
Sample Spacing Divisor 1
Sample Spacing Multiplicator 1
Scan Time 50.047 s
Scanner Temperature 28.4 °C
Scanner Velocity 10 kHz
Signal Gain, Background automatic
Solvent Dichloromethane
Source of Spectrum Bio-Rad Laboratories, Inc.
Start Frequency Limit for File 4000 cm⁻¹
Synonyms 3,5-Dichlorobenzoic acid methyl ester
Technique Film
Window KBr Window
Zero Filling Factor 8