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Ethyl 5-amino-1-phenyl-1H-pyrazole-4-carboxylate
SpectraBase Compound ID CMsilautZUJ
InChI InChI=1S/C12H13N3O2/c1-2-17-12(16)10-8-14-15(11(10)13)9-6-4-3-5-7-9/h3-8H,2,13H2,1H3
InChIKey AYJIUOZKKTUKKD-UHFFFAOYSA-N
Mol Weight 231.25 g/mol
Molecular Formula C12H13N3O2
Exact Mass 231.100777 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID Dvd5r7dfwPn
Name Ethyl 5-amino-1-phenyl-1H-pyrazole-4-carboxylate
Source of Sample Alfa Aesar, Thermo Fisher Scientific
Catalog Number A13296
Lot Number 10121426
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 0.270398
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 -11185
Backward Peak Location 14482
Beam Splitter Setting KBr
CAS Registry Number 16078-71-0
Color Properties White
Container ID C-009063
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 C12H13N3O2
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/C12H13N3O2/c1-2-17-12(16)10-8-14-15(11(10)13)9-6-4-3-5-7-9/h3-8H,2,13H2,1H3
InChIKey AYJIUOZKKTUKKD-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
Molecular Weight 231.255 g/mol
Non Linearity Correction 0
Number of Points 15180
Number of Sample Scans 32
Optical Filter Setting Open
Peak Amplitude -11686
Peak Amplitude 2nd Channel 1
Peak Location 14474
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 A13296-5G
SMILES Nc1c(cn[n]1-c1ccccc1)C(OCC)=O
Sample Spacing Divisor 1
Sample Spacing Multiplicator 1
Scan Time 50.07 s
Scanner Temperature 27.7 °C
Scanner Velocity 10 kHz
Signal Gain, Background automatic
Source of Spectrum Bio-Rad Laboratories, Inc.
Start Frequency Limit for File 4000 cm⁻¹
Synonyms 5-Amino-4-carboethoxy-1-phenyl-1H-pyrazole; 5-Amino-1-phenyl-1H-pyrazole-4-carboxylic acid ethyl ester
Technique KBr0
Zero Filling Factor 8