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3-Chloropropyl isocyanate
SpectraBase Compound ID HORCzObQT0V
InChI InChI=1S/C4H6ClNO/c5-2-1-3-6-4-7/h1-3H2
InChIKey RQAVSDINDRNIKL-UHFFFAOYSA-N
Mol Weight 119.55 g/mol
Molecular Formula C4H6ClNO
Exact Mass 119.013792 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID LlfM2YRDJnz
Name 3-Chloropropyl isocyanate
Source of Sample Acros Organics
Catalog Number 314590010
Lot Number A0242309
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 0.270483
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 16
Background Scans or Time Scans
Backward Peak Amplitude -12386
Backward Peak Location 14479
Beam Splitter Setting KBr
CAS Registry Number 13010-19-0
Color Properties Clear colorless
Container ID C-008568
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 C4H6ClNO
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/C4H6ClNO/c5-2-1-3-6-4-7/h1-3H2
InChIKey RQAVSDINDRNIKL-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 119.551 g/mol
Non Linearity Correction 0
Number of Points 15180
Number of Sample Scans 16
Optical Filter Setting Open
Peak Amplitude -12367
Peak Amplitude 2nd Channel 1
Peak Location 14476
Peak Location 2nd Channel 1
Phase Correction Mode Mertz
Phase Resolution 4
Physical State Liquid
Preamplifier Gain Background 0
Purity 96%
Relative Humidity Interferometer 0 %
Resolution 2
SKU 314590010-1GR
SMILES C(Cl)CCN=C=O
Sample Spacing Divisor 1
Sample Spacing Multiplicator 1
Scan Time 24.992 s
Scanner Temperature 30.4 °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-Chloro-3-isocyanatopropane
Technique Neat
Window KBr Window - 1 Side
Zero Filling Factor 8