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(S)-α-Methyl-4-nitrobenzylamine hydrochloride
SpectraBase Compound ID KjmeamlY1ai
InChI InChI=1S/C8H10N2O2.ClH/c1-6(9)7-2-4-8(5-3-7)10(11)12;/h2-6H,9H2,1H3;1H/t6-;/m0./s1
InChIKey CZQQGVFHLSBEDV-RGMNGODLSA-N
Mol Weight 201.63 g/mol
Molecular Formula C8H10ClN2O2
Exact Mass 201.04308 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID K2dSnAZftFV
Name (S)-α-Methyl-4-nitrobenzylamine hydrochloride
Source of Sample TCI Chemicals India Pvt. Ltd.
Catalog Number N0543
Lot Number GG01-THDN
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 0.270392
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 -1817
Backward Peak Location 7370
Beam Splitter Setting KBr
CAS Registry Number 132873-57-5
Color Properties White
Container ID C-009464
Copyright Copyright © 2018-2025 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 C8H11ClN2O2
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/C8H10N2O2.ClH/c1-6(9)7-2-4-8(5-3-7)10(11)12;/h2-6H,9H2,1H3;1H/t6-;/m0./s1
InChIKey CZQQGVFHLSBEDV-RGMNGODLSA-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 202.641 g/mol
Non Linearity Correction 0
Number of Points 3795
Number of Sample Scans 32
Optical Filter Setting Open
Peak Amplitude -1881
Peak Amplitude 2nd Channel 1
Peak Location 7366
Peak Location 2nd Channel 1
Phase Correction Mode Mertz
Phase Resolution 8
Physical State Liquid
Preamplifier Gain 3
Preamplifier Gain Background 0
Purity 99%
Relative Humidity Interferometer 20 %
Resolution 4
SKU N0543-1G
SMILES Cl.N[C@](c1ccc(cc1)N(=O)=O)(C)[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 27.295 s
Scanner Temperature 27.6 °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
Technique ATR-Neat
Zero Filling Factor 4