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3-(Bromoacetyl)coumarin
SpectraBase Compound ID LnGSbHZQlVH
InChI InChI=1S/C11H7BrO3/c12-6-9(13)8-5-7-3-1-2-4-10(7)15-11(8)14/h1-5H,6H2
InChIKey NTYOLVNSXVYRTJ-UHFFFAOYSA-N
Mol Weight 267.08 g/mol
Molecular Formula C11H7BrO3
Exact Mass 265.957857 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID LNIJSm5ESP6
Name 3-(Bromoacetyl)coumarin
Source of Sample TCI Chemicals India Pvt. Ltd.
Catalog Number B4679
Lot Number I7UZA-QO
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 0.270348
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 -1950
Backward Peak Location 7372
Beam Splitter Setting KBr
CAS Registry Number 29310-88-1
Color Properties White-pale yellow
Container ID C-009413
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 C11H7BrO3
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/C11H7BrO3/c12-6-9(13)8-5-7-3-1-2-4-10(7)15-11(8)14/h1-5H,6H2
InChIKey NTYOLVNSXVYRTJ-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 -1959
Peak Amplitude 2nd Channel 1
Peak Location 7364
Peak Location 2nd Channel 1
Phase Correction Mode Mertz
Phase Resolution 8
Physical State Solid
Preamplifier Gain 3
Preamplifier Gain Background 0
Purity 95%
Relative Humidity Interferometer 10 %
Resolution 4
SKU B4679-1G
SMILES c12ccccc1OC(\C(=C/2)C(CBr)=O)=O
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 27.31 s
Scanner Temperature 27.6 °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 3-(2-Bromoacetyl)chromen-2-one; 3-(2-Bromo-1-oxoethyl)-1-benzopyran-2-one
Technique ATR-Neat
Zero Filling Factor 4