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o-Tolyl isocyanate
SpectraBase Compound ID 2IOO8goAzAU
InChI InChI=1S/C8H7NO/c1-7-4-2-3-5-8(7)9-6-10/h2-5H,1H3
InChIKey VAYMIYBJLRRIFR-UHFFFAOYSA-N
Mol Weight 133.15 g/mol
Molecular Formula C8H7NO
Exact Mass 133.052764 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 4egvjS69y8i
Name o-Tolyl isocyanate
Source of Sample TCI Chemicals India Pvt. Ltd.
Catalog Number T0320
Lot Number UZQIG-BN
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 0.27103
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 -1479
Backward Peak Location 7349
Beam Splitter Setting KBr
CAS Registry Number 614-68-6
Color Properties Light yellow
Container ID C-010197
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 C8H7NO
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/C8H7NO/c1-7-4-2-3-5-8(7)9-6-10/h2-5H,1H3
InChIKey VAYMIYBJLRRIFR-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
Non Linearity Correction 0
Number of Points 3795
Number of Sample Scans 32
Optical Filter Setting Open
Peak Amplitude -1560
Peak Amplitude 2nd Channel 1
Peak Location 7387
Peak Location 2nd Channel 1
Phase Correction Mode Mertz
Phase Resolution 8
Physical State Liquid
Preamplifier Gain 3
Preamplifier Gain Background 0
Purity >98.0%
Relative Humidity Interferometer 0 %
Resolution 4
SKU T0320-5G
SMILES c1c(c(ccc1)C)N=C=O
Sample Rotations 32
Sample Scans or Time Scans
Sample Spacing Divisor 1
Sample Spacing Multiplicator 1
Scan Time 27.314 s
Scanner Temperature 33.7 °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
Synonyms Isocyanic acid o-tolyl ester
Technique ATR-Neat
Zero Filling Factor 4