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Methyl 5-bromo-2-methylbenzoate
SpectraBase Compound ID 5F8ChmBj0tZ
InChI InChI=1S/C9H9BrO2/c1-6-3-4-7(10)5-8(6)9(11)12-2/h3-5H,1-2H3
InChIKey FDCYLMYCHALQJR-UHFFFAOYSA-N
Mol Weight 229.07 g/mol
Molecular Formula C9H9BrO2
Exact Mass 227.978593 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID AD62uMISNgX
Name Methyl 5-bromo-2-methylbenzoate
Source of Sample TCI Chemicals India Pvt. Ltd.
Catalog Number M2542
Lot Number 4NAXN-EC
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 0.27048
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 -9827
Backward Peak Location 14450
Beam Splitter Setting KBr
CAS Registry Number 79669-50-4
Color Properties White
Container ID C-009434
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 C9H9BrO2
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/C9H9BrO2/c1-6-3-4-7(10)5-8(6)9(11)12-2/h3-5H,1-2H3
InChIKey FDCYLMYCHALQJR-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 229.073 g/mol
Non Linearity Correction 0
Number of Points 15180
Number of Sample Scans 32
Optical Filter Setting Open
Peak Amplitude -10189
Peak Amplitude 2nd Channel 1
Peak Location 14506
Peak Location 2nd Channel 1
Phase Correction Mode Mertz
Phase Resolution 4
Physical State Solid
Preamplifier Gain Background 0
Purity 98%
Relative Humidity Interferometer 10 %
Resolution 2
SKU M2542-1G
SMILES c1c(c(ccc1Br)C)C(OC)=O
Sample Spacing Divisor 1
Sample Spacing Multiplicator 1
Scan Time 50.041 s
Scanner Temperature 28.6 °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 5-Bromo-2-methylbenzoic acid methyl ester; 5-Bromo-o-toluic acid methyl ester
Technique Film
Window KBr Window
Zero Filling Factor 8