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N-(tert-Butoxycarbonyl)-L-phenylalanine methyl ester
SpectraBase Compound ID A06pcWUUfvv
InChI InChI=1S/C15H21NO4/c1-15(2,3)20-14(18)16-12(13(17)19-4)10-11-8-6-5-7-9-11/h5-9,12H,10H2,1-4H3,(H,16,18)/t12-/m0/s1
InChIKey SDSWSVBXRBXPRL-LBPRGKRZSA-N
Mol Weight 279.34 g/mol
Molecular Formula C15H21NO4
Exact Mass 279.147058 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID CSs7epQ50Fj
Name N-(tert-Butoxycarbonyl)-L-phenylalanine methyl ester
Source of Sample TCI Chemicals India Pvt. Ltd.
Catalog Number B4259
Lot Number WZ7DD-0D
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 0.27055
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 -1425
Backward Peak Location 7370
Beam Splitter Setting KBr
CAS Registry Number 51987-73-6
Color Properties White
Container ID C-010323
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 C15H21NO4
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/C15H21NO4/c1-15(2,3)20-14(18)16-12(13(17)19-4)10-11-8-6-5-7-9-11/h5-9,12H,10H2,1-4H3,(H,16,18)/t12-/m0/s1
InChIKey SDSWSVBXRBXPRL-LBPRGKRZSA-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
Non Linearity Correction 0
Number of Points 3795
Number of Sample Scans 32
Optical Filter Setting Open
Peak Amplitude -1461
Peak Amplitude 2nd Channel 1
Peak Location 7365
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 B4259-5G
SMILES N([C@@](Cc1ccccc1)(C(OC)=O)[H])C(OC(C)(C)C)=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 27.301 s
Scanner Temperature 29.8 °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 N-Boc-L-Phenylalanine methyl ester; (S)-Methyl 2-(tert-butoxycarbonylamino)-3-phenylpropanoate
Technique ATR-Neat
Zero Filling Factor 4