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2-(4-Bromophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SpectraBase Compound ID 8ZRy0sAFHC8
InChI InChI=1S/C12H16BBrO2/c1-11(2)12(3,4)16-13(15-11)9-5-7-10(14)8-6-9/h5-8H,1-4H3
InChIKey AZCNDGAXOZWQPV-UHFFFAOYSA-N
Mol Weight 283.0 g/mol
Molecular Formula C12H16BBrO2
Exact Mass 282.042673 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 1u57N5iuNdD
Name 2-(4-Bromophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Source of Sample TCI Chemicals India Pvt. Ltd.
Catalog Number B4771
Lot Number VKDDE-QB
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 0.270165
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 -1951
Backward Peak Location 7369
Beam Splitter Setting KBr
CAS Registry Number 68716-49-4
Container ID C-009430
Copyright Copyright © 2018-2024 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 C12H16BBrO2
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/C12H16BBrO2/c1-11(2)12(3,4)16-13(15-11)9-5-7-10(14)8-6-9/h5-8H,1-4H3
InChIKey AZCNDGAXOZWQPV-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
Non Linearity Correction 0
Number of Points 3795
Number of Sample Scans 32
Optical Filter Setting Open
Peak Amplitude -1975
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 20 %
Resolution 4
SKU B4771-1G
SMILES c1cc(ccc1B1OC(C(O1)(C)C)(C)C)Br
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 27.297 s
Scanner Temperature 25.7 °C
Scanner Velocity 10 kHz
Signal Gain, Background automatic
Signal Gain, Sample automatic
Source of Spectrum Bio-Rad Laboratories, Inc.
Start Frequency Limit for File 4000 cm⁻¹
Synonyms 4-Bromophenylboronic acid pinacol ester; 1-Bromo-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzene
Technique ATR-Neat
Zero Filling Factor 4