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L-Phenylalanine tert-butyl ester hydrochloride
SpectraBase Compound ID 2pIZuqgnt09
InChI InChI=1S/C13H19NO2.ClH/c1-13(2,3)16-12(15)11(14)9-10-7-5-4-6-8-10;/h4-8,11H,9,14H2,1-3H3;1H/t11-;/m0./s1
InChIKey FDMCEXDXULPJPG-MERQFXBCSA-N
Mol Weight 257.76 g/mol
Molecular Formula C13H20ClNO2
Exact Mass 257.118257 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 1cpI4Sl8uBk
Name L-Phenylalanine tert-butyl ester hydrochloride
Source of Sample Alfa Aesar, Thermo Fisher Scientific
Catalog Number H59122
Lot Number 81200971
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 0.27037
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 -1994
Backward Peak Location 7369
Beam Splitter Setting KBr
CAS Registry Number 15100-75-1
Color Properties White
Container ID C-009788
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 C13H20ClNO2
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/C13H19NO2.ClH/c1-13(2,3)16-12(15)11(14)9-10-7-5-4-6-8-10;/h4-8,11H,9,14H2,1-3H3;1H/t11-;/m0./s1
InChIKey FDMCEXDXULPJPG-MERQFXBCSA-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 257.761 g/mol
Non Linearity Correction 0
Number of Points 3795
Number of Sample Scans 32
Optical Filter Setting Open
Peak Amplitude -2023
Peak Amplitude 2nd Channel 1
Peak Location 7366
Peak Location 2nd Channel 1
Phase Correction Mode Mertz
Phase Resolution 8
Physical State Solid
Preamplifier Gain 3
Preamplifier Gain Background 0
Purity 98%
Relative Humidity Interferometer 10 %
Resolution 4
SKU H59122-1G
SMILES Cl.N[C@@](Cc1ccccc1)(C(OC(C)(C)C)=O)[H]
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 27.296 s
Scanner Temperature 28.2 °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 (S)-tert-Butyl 2-amino-3-phenylpropanoate hydrochloride
Technique ATR-Neat
Zero Filling Factor 4