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2,6-Dichlorophenyl isothiocyanate
SpectraBase Compound ID 1cNRdya0MdP
InChI InChI=1S/C7H3Cl2NS/c8-5-2-1-3-6(9)7(5)10-4-11/h1-3H
InChIKey SUCGVQHNGIQXGD-UHFFFAOYSA-N
Mol Weight 204.07 g/mol
Molecular Formula C7H3Cl2NS
Exact Mass 202.936326 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID g9o4cSqqso
Name 2,6-Dichlorophenyl isothiocyanate
Source of Sample Alfa Aesar, Thermo Fisher Scientific
Catalog Number L12672
Lot Number FA034495
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 0.270142
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 -9909
Backward Peak Location 14479
Beam Splitter Setting KBr
CAS Registry Number 6590-95-0
Color Properties Pale yellow
Container ID C-008035
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 C7H3Cl2NS
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/C7H3Cl2NS/c8-5-2-1-3-6(9)7(5)10-4-11/h1-3H
InChIKey SUCGVQHNGIQXGD-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 204.074 g/mol
Non Linearity Correction 0
Number of Points 15180
Number of Sample Scans 32
Optical Filter Setting Open
Peak Amplitude -9745
Peak Amplitude 2nd Channel 1
Peak Location 14476
Peak Location 2nd Channel 1
Phase Correction Mode Mertz
Phase Resolution 4
Physical State Solid
Preamplifier Gain Background 0
Purity 98+%
Relative Humidity Interferometer 20 %
Resolution 2
SKU L12672-1G
SMILES c1c(c(c(cc1)Cl)N=C=S)Cl
Sample Spacing Divisor 1
Sample Spacing Multiplicator 1
Scan Time 50.085 s
Scanner Temperature 25.6 °C
Scanner Velocity 10 kHz
Signal Gain, Background automatic
Source of Spectrum Bio-Rad Laboratories, Inc.
Start Frequency Limit for File 4000 cm⁻¹
Synonyms 1,3-Dichloro-2-isothiocyanatobenzene
Technique Melt (Crystalline)
Window KBr Window
Zero Filling Factor 8