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METHYLTHIOACETATE
SpectraBase Compound ID C1afVyiwhdX
InChI InChI=1S/C3H6OS/c1-3(4)5-2/h1-2H3
InChIKey OATSQCXMYKYFQO-UHFFFAOYSA-N
Mol Weight 90.14 g/mol
Molecular Formula C3H6OS
Exact Mass 90.013936 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 9QBjynpagsY
Name S-Methyl thioacetate
Source of Sample TCI Chemicals India Pvt. Ltd.
Catalog Number M2286
Lot Number W6DJO-LO
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 0.270561
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 -2350
Backward Peak Location 7359
Beam Splitter Setting KBr
CAS Registry Number 1534-08-3
Color Properties Colorless
Container ID C-010041
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 C3H6OS
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/C3H6OS/c1-3(4)5-2/h1-2H3
InChIKey OATSQCXMYKYFQO-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
Molecular Weight 90.140 g/mol
Non Linearity Correction 0
Number of Points 3795
Number of Sample Scans 32
Optical Filter Setting Open
Peak Amplitude -2463
Peak Amplitude 2nd Channel 1
Peak Location 7377
Peak Location 2nd Channel 1
Phase Correction Mode Mertz
Phase Resolution 8
Physical State Liquid
Preamplifier Gain 3
Preamplifier Gain Background 0
Purity >95.0%
Relative Humidity Interferometer 20 %
Resolution 4
SKU M2286-5G
SMILES CC(SC)=O
Sample Rotations 32
Sample Scans or Time Scans
Sample Spacing Divisor 1
Sample Spacing Multiplicator 1
Scan Time 27.299 s
Scanner Temperature 29.7 °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 Thioacetic acid S-methyl ester
Technique ATR-Neat
Zero Filling Factor 4