John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=9j6SHfWNNt SpectraBase Spectrum ID=E3SV4mJV4jp

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3-(N,O-Dimethylhydroxylaminocarbonyl)benzeneboronic acid pinacol ester
SpectraBase Compound ID 9j6SHfWNNt
InChI InChI=1S/C15H22BNO4/c1-14(2)15(3,4)21-16(20-14)12-9-7-8-11(10-12)13(18)17(5)19-6/h7-10H,1-6H3
InChIKey ATIMPABZLDHDMN-UHFFFAOYSA-N
Mol Weight 291.2 g/mol
Molecular Formula C15H22BNO4
Exact Mass 291.164189 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID E3SV4mJV4jp
Name 3-(N,O-Dimethylhydroxylaminocarbonyl)benzeneboronic acid pinacol ester
Source of Sample Alfa Aesar, Thermo Fisher Scientific
Catalog Number H27949
Lot Number 10134174
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 0.270798
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 -1850
Backward Peak Location 7340
Beam Splitter Setting KBr
CAS Registry Number 957061-17-5
Color Properties White
Container ID C-009866
Copyright Copyright © 2018-2021 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 C15H22BNO4
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/C15H22BNO4/c1-14(2)15(3,4)21-16(20-14)12-9-7-8-11(10-12)13(18)17(5)19-6/h7-10H,1-6H3
InChIKey ATIMPABZLDHDMN-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
Molecular Weight 291.154 g/mol
Non Linearity Correction 0
Number of Points 3795
Number of Sample Scans 32
Optical Filter Setting Open
Peak Amplitude -1857
Peak Amplitude 2nd Channel 1
Peak Location 7395
Peak Location 2nd Channel 1
Phase Correction Mode Mertz
Phase Resolution 8
Physical State Solid
Preamplifier Gain 3
Preamplifier Gain Background 0
Purity 97+%
Relative Humidity Interferometer 0 %
Resolution 4
SKU H27949-1G
SMILES c1c(cccc1C(N(C)OC)=O)B1OC(C(O1)(C)C)(C)C
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 27.288 s
Scanner Temperature 30.5 °C
Scanner Velocity 10 kHz
Signal Gain, Background automatic
Signal Gain, Sample automatic
Source of Spectrum Bio-Rad Laboratories, Inc.
SpectraBase Batch ID 4wsNxhY3F3g
Start Frequency Limit for File 4000 cm⁻¹
Synonyms [3-(N,O-Dimethyl hydroxylaminocarbonyl)phenyl] boronic acid pinacol ester; N,O-Dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzohydroxamate
Technique ATR-Neat
Zero Filling Factor 4