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5-Methyl-3,4-diphenylisoxazole
SpectraBase Compound ID LxSypeYVraA
InChI InChI=1S/C16H13NO/c1-12-15(13-8-4-2-5-9-13)16(17-18-12)14-10-6-3-7-11-14/h2-11H,1H3
InChIKey ZXIRUKJWLADSJS-UHFFFAOYSA-N
Mol Weight 235.29 g/mol
Molecular Formula C16H13NO
Exact Mass 235.099714 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID FLFRV2CZ2tA
Name 5-Methyl-3,4-diphenylisoxazole
Source of Sample TCI Chemicals India Pvt. Ltd.
Catalog Number M2830
Lot Number TQMXL-DN
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 0.270444
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 -10825
Backward Peak Location 14450
Beam Splitter Setting KBr
CAS Registry Number 37928-17-9
Color Properties White-pale yellow
Container ID C-009690
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 C16H13NO
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/C16H13NO/c1-12-15(13-8-4-2-5-9-13)16(17-18-12)14-10-6-3-7-11-14/h2-11H,1H3
InChIKey ZXIRUKJWLADSJS-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 235.286 g/mol
Non Linearity Correction 0
Number of Points 15180
Number of Sample Scans 32
Optical Filter Setting Open
Peak Amplitude -10938
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 M2830-1G
SMILES c1cc(ccc1)-c1c(onc1-c1ccccc1)C
Sample Spacing Divisor 1
Sample Spacing Multiplicator 1
Scan Time 50.046 s
Scanner Temperature 28.5 °C
Scanner Velocity 10 kHz
Signal Gain, Background automatic
Source of Spectrum Bio-Rad Laboratories, Inc.
Start Frequency Limit for File 4000 cm⁻¹
Technique KBr0
Zero Filling Factor 8