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1,1'-HEXAMETHYLENEBIS[5-(p-CHLOROPHENYL)BIGUANIDE], DIHYDROCHLORIDE
SpectraBase Compound ID 9z2eCGNwDVh
InChI InChI=1S/C22H30Cl2N10.2ClH/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18;;/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34);2*1H
InChIKey WJLVQTJZDCGNJN-UHFFFAOYSA-N
Mol Weight 578.38 g/mol
Molecular Formula C22H32Cl4N10
Exact Mass 576.156552 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID Fl1QIB3BNAc
Name Chlorhexidine dihydrochloride
Source of Sample TCI Chemicals India Pvt. Ltd.
Catalog Number C1254
Lot Number SVIAJ-IM
Accessory DuraSample IR #145404C7
Acquisition Mode double sided, forward-backward
Actual Signal Gain 16
Actual Signal Gain 2nd Channel 1
Additional Data Treatment 1
Analog Signal 1 0.270664
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 -1573
Backward Peak Location 7352
Beam Splitter Setting KBr
CAS Registry Number 3697-42-5
Color Properties White
Container ID C-010102
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 C22H32Cl4N10
Frequency of First Point 3998.29 cm⁻¹
Frequency of Last Point 339.459 cm⁻¹
High Folding Limit 15800.3
High Frequency Limit 8000 cm⁻¹
High Pass Filter 0
InChI InChI=1S/C22H30Cl2N10.2ClH/c23-15-5-9-17(10-6-15)31-21(27)33-19(25)29-13-3-1-2-4-14-30-20(26)34-22(28)32-18-11-7-16(24)8-12-18;;/h5-12H,1-4,13-14H2,(H5,25,27,29,31,33)(H5,26,28,30,32,34);2*1H
InChIKey WJLVQTJZDCGNJN-UHFFFAOYSA-N
Instrument Name Bruker Tensor 27 FT-IR
Laser Wavenumber 15800.3 cm⁻¹
Low Folding Limit 0
Low Frequency Limit 0
Low Pass Filter 10
Measurement Channel Sample Compartment
Melting Point 111.0 - 116.0 °C
Molecular Weight 578.380 g/mol
Non Linearity Correction 0
Number of Points 3795
Number of Sample Scans 32
Optical Filter Setting Open
Peak Amplitude -1610
Peak Amplitude 2nd Channel 1
Peak Location 7383
Peak Location 2nd Channel 1
Phase Correction Mode Mertz
Phase Resolution 8
Physical State Solid
Preamplifier Gain 3
Preamplifier Gain Background 0
Purity >96.0%
Relative Humidity Interferometer 20 %
Resolution 4
SKU C1254-5G
SMILES N(c1ccc(cc1)Cl)C(NC(NCCCCCCNC(NC(Nc1ccc(cc1)Cl)=N)=N)=N)=N.Cl.Cl
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 29 °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 1,1'-Hexamethylenebis[5-(4-chlorophenyl)biguanide] dihydrochloride
Technique ATR-Neat
Zero Filling Factor 4