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Methyl 2-(3-chloropropanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
SpectraBase Compound ID IA36L4ngqZv
InChI InChI=1S/C12H14ClNO3S/c1-17-12(16)10-7-3-2-4-8(7)18-11(10)14-9(15)5-6-13/h2-6H2,1H3,(H,14,15)
InChIKey OMCRFVOYMSUXGQ-UHFFFAOYSA-N
Mol Weight 287.76 g/mol
Molecular Formula C12H14ClNO3S
Exact Mass 287.038292 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID EDGpBwEXGyB
Name Methyl 2-(3-chloropropanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
Source of Sample Alfa Aesar, Thermo Fisher Scientific
Catalog Number H33025
Lot Number 10172128
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 0.27049
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 -1864
Backward Peak Location 7340
Beam Splitter Setting KBr
CAS Registry Number 551910-46-4
Color Properties Pale brown
Container ID C-009750
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 C12H14ClNO3S
Frequency of First Point 3998.34 cm⁻¹
Frequency of Last Point 339.463 cm⁻¹
High Folding Limit 15800.5
High Frequency Limit 8000 cm⁻¹
High Pass Filter 0
InChI InChI=1S/C12H14ClNO3S/c1-17-12(16)10-7-3-2-4-8(7)18-11(10)14-9(15)5-6-13/h2-6H2,1H3,(H,14,15)
InChIKey OMCRFVOYMSUXGQ-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
Measurement Channel Sample Compartment
Molecular Weight 287.761 g/mol
Non Linearity Correction 0
Number of Points 3795
Number of Sample Scans 32
Optical Filter Setting Open
Peak Amplitude -1876
Peak Amplitude 2nd Channel 1
Peak Location 7396
Peak Location 2nd Channel 1
Phase Correction Mode Mertz
Phase Resolution 8
Physical State Solid
Preamplifier Gain 3
Preamplifier Gain Background 0
Purity 96%
Relative Humidity Interferometer 0 %
Resolution 4
SKU H33025-1G
SMILES N(c1sc2CCCc2c1C(OC)=O)C(CCCl)=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 27.292 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 2-(3-Chloropropanoylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylic acid methyl ester
Technique ATR-Neat
Zero Filling Factor 4