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L-Threonine methyl ester hydrochloride
SpectraBase Compound ID HT7wqC7eCpS
InChI InChI=1S/C5H11NO3.ClH/c1-3(7)4(6)5(8)9-2;/h3-4,7H,6H2,1-2H3;1H/t3-,4+;/m1./s1
InChIKey OZSJLLVVZFTDEY-HJXLNUONSA-N
Mol Weight 169.61 g/mol
Molecular Formula C5H12ClNO3
Exact Mass 169.050571 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID FNHxOY4z1xl
Name L-Threonine methyl ester hydrochloride
Source of Sample Acros Organics
Catalog Number 376690010
Lot Number A0356260
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 0.270358
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 32
Background Scans or Time Scans
Backward Peak Amplitude -9108
Backward Peak Location 14449
Beam Splitter Setting KBr
CAS Registry Number 39994-75-7
Color Properties White
Container ID C-008597
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 C5H12ClNO3
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/C5H11NO3.ClH/c1-3(7)4(6)5(8)9-2;/h3-4,7H,6H2,1-2H3;1H/t3-,4+;/m1./s1
InChIKey OZSJLLVVZFTDEY-HJXLNUONSA-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
Non Linearity Correction 0
Number of Points 15180
Number of Sample Scans 32
Optical Filter Setting Open
Peak Amplitude -9055
Peak Amplitude 2nd Channel 1
Peak Location 14506
Peak Location 2nd Channel 1
Phase Correction Mode Mertz
Phase Resolution 4
Physical State Solid
Preamplifier Gain Background 0
Purity 98+%
Relative Humidity Interferometer 20 %
Resolution 2
SKU 376690010-1GR
SMILES N[C@@]([C@@](C)(O)[H])(C(OC)=O)[H].Cl
Sample Spacing Divisor 1
Sample Spacing Multiplicator 1
Scan Time 50.046 s
Scanner Temperature 27.3 °C
Scanner Velocity 10 kHz
Signal Gain, Background automatic
Solvent Dichloromethane
Source of Spectrum Bio-Rad Laboratories, Inc.
Start Frequency Limit for File 4000 cm⁻¹
Synonyms (2S,3R)-Methyl 2-amino-3-hydroxybutanoate hydrochloride
Technique Film
Window KBr Window
Zero Filling Factor 8