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GQECANUIPBFPLA-UHFFFAOYSA-N
SpectraBase Compound ID EKctfy2Uboj
InChI InChI=1S/C5H6O4S3/c6-3(7)1-11-5(10)12-2-4(8)9/h1-2H2,(H,6,7)(H,8,9)
InChIKey GQECANUIPBFPLA-UHFFFAOYSA-N
Mol Weight 226.28 g/mol
Molecular Formula C5H6O4S3
Exact Mass 225.942822 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID Be50IOV2EHC
Name Bis(carboxymethyl) trithiocarbonate
Source of Sample TCI Chemicals India Pvt. Ltd.
Catalog Number T2036
Lot Number UX8UO-OK
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 0.270606
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 -1447
Backward Peak Location 7369
Beam Splitter Setting KBr
CAS Registry Number 6326-83-6
Color Properties Pale yellow
Container ID C-010232
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 C5H6O4S3
Frequency of First Point 3998.31 cm⁻¹
Frequency of Last Point 339.461 cm⁻¹
High Folding Limit 15800.4
High Frequency Limit 8000 cm⁻¹
High Pass Filter 0
InChI InChI=1S/C5H6O4S3/c6-3(7)1-11-5(10)12-2-4(8)9/h1-2H2,(H,6,7)(H,8,9)
InChIKey GQECANUIPBFPLA-UHFFFAOYSA-N
Instrument Name Bruker Tensor 27 FT-IR
Laser Wavenumber 15800.4 cm⁻¹
Low Folding Limit 0
Low Frequency Limit 0
Low Pass Filter 10
Measurement Channel Sample Compartment
Molecular Weight 226.279 g/mol
Non Linearity Correction 0
Number of Points 3795
Number of Sample Scans 32
Optical Filter Setting Open
Peak Amplitude -1435
Peak Amplitude 2nd Channel 1
Peak Location 7367
Peak Location 2nd Channel 1
Phase Correction Mode Mertz
Phase Resolution 8
Preamplifier Gain 3
Preamplifier Gain Background 0
Purity >98.0%
Relative Humidity Interferometer 0 %
Resolution 4
SKU T2036-5G
SMILES OC(CSC(SCC(O)=O)=S)=O
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 27.329 s
Scanner Temperature 28.8 °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 Trithiocarbonic acid bis(carboxymethyl) ester; Thiocarbonyldithioglycolic acid
Technique ATR-Neat
Zero Filling Factor 4