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2-(2-Methyl-5-nitrophenylamino)-4-(3-pyridyl)pyrimidine
SpectraBase Compound ID CCIr8d1oa8r
InChI InChI=1S/C16H13N5O2/c1-11-4-5-13(21(22)23)9-15(11)20-16-18-8-6-14(19-16)12-3-2-7-17-10-12/h2-10H,1H3,(H,18,19,20)
InChIKey OJITWRFPRCHSMX-UHFFFAOYSA-N
Mol Weight 307.31 g/mol
Molecular Formula C16H13N5O2
Exact Mass 307.106925 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 7lyiyq0cpJ8
Name 2-(2-Methyl-5-nitrophenylamino)-4-(3-pyridyl)pyrimidine
Source of Sample Alfa Aesar, Thermo Fisher Scientific
Catalog Number H64814
Lot Number 81302553
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 0.270584
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 -10183
Backward Peak Location 14480
Beam Splitter Setting KBr
CAS Registry Number 152460-09-8
Color Properties Yellow
Container ID C-009277
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 C16H13N5O2
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/C16H13N5O2/c1-11-4-5-13(21(22)23)9-15(11)20-16-18-8-6-14(19-16)12-3-2-7-17-10-12/h2-10H,1H3,(H,18,19,20)
InChIKey OJITWRFPRCHSMX-UHFFFAOYSA-N
Instrument Name Bruker Tensor 27 FT-IR
KBr Capsule ID K-04567
Laser Wavenumber 15800.5 cm⁻¹
Low Folding Limit 0
Low Frequency Limit 0
Low Pass Filter 10
Molecular Weight 307.313 g/mol
Non Linearity Correction 0
Number of Points 15180
Number of Sample Scans 32
Optical Filter Setting Open
Peak Amplitude -10534
Peak Amplitude 2nd Channel 1
Peak Location 14476
Peak Location 2nd Channel 1
Pellet ID P-04413
Phase Correction Mode Mertz
Phase Resolution 4
Physical State Solid
Preamplifier Gain Background 0
Purity 98%
Relative Humidity Interferometer 10 %
Resolution 2
SKU H64814-1G
SMILES N(c1nccc(n1)-c1cnccc1)c1c(ccc(c1)N(=O)=O)C
Sample Capsule ID S-04567
Sample Spacing Divisor 1
Sample Spacing Multiplicator 1
Scan Time 50.052 s
Scanner Temperature 30.1 °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 N-(2-Methyl-5-nitrophenyl)-4-(3-pyridyl)-2-pyrimidinylamine
Technique KBr1
Zero Filling Factor 8