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[(1H-Benzotriazol-1-yl)methyl]triphenylphosphonium chloride
SpectraBase Compound ID CFtRjeoUUny
InChI InChI=1S/C25H21N3P.ClH/c1-4-12-21(13-5-1)29(22-14-6-2-7-15-22,23-16-8-3-9-17-23)20-28-25-19-11-10-18-24(25)26-27-28;/h1-19H,20H2;1H/q+1;/p-1
InChIKey YEEGDMCFIRPFRB-UHFFFAOYSA-M
Mol Weight 429.89 g/mol
Molecular Formula C25H21ClN3P
Exact Mass 429.116162 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID GWgxOLPQKEF
Name [(1H-Benzotriazol-1-yl)methyl]triphenylphosphonium chloride
Source of Sample TCI Chemicals India Pvt. Ltd.
Catalog Number B4486
Lot Number MCLWN-SQ
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 0.270126
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 -1803
Backward Peak Location 7369
Beam Splitter Setting KBr
CAS Registry Number 61540-63-4
Color Properties White-pale yellow
Container ID C-009423
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 C25H21ClN3P
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/C25H21N3P.ClH/c1-4-12-21(13-5-1)29(22-14-6-2-7-15-22,23-16-8-3-9-17-23)20-28-25-19-11-10-18-24(25)26-27-28;/h1-19H,20H2;1H/q+1;/p-1
InChIKey YEEGDMCFIRPFRB-UHFFFAOYSA-M
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 429.891 g/mol
Non Linearity Correction 0
Number of Points 3795
Number of Sample Scans 32
Optical Filter Setting Open
Peak Amplitude -1827
Peak Amplitude 2nd Channel 1
Peak Location 7366
Peak Location 2nd Channel 1
Phase Correction Mode Mertz
Phase Resolution 8
Preamplifier Gain 3
Preamplifier Gain Background 0
Purity 98%
Relative Humidity Interferometer 20 %
Resolution 4
SKU B4486-1G
SMILES [Cl-].c12ccccc1[n](nn2)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1
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 27.298 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
Technique ATR-Neat
Zero Filling Factor 4