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AM251
SpectraBase Compound ID IZdSkXeS3hB
InChI InChI=1S/C22H21Cl2IN4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-7-16(23)13-18(19)24)21(14)15-5-8-17(25)9-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
InChIKey BUZAJRPLUGXRAB-UHFFFAOYSA-N
Mol Weight 555.25 g/mol
Molecular Formula C22H21Cl2IN4O
Exact Mass 554.013712 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 8dtb2agcXMc
Name AM251
Source of Sample Cayman Chemical Company
Catalog Number 71670
Lot Number 0523946-73
Accessory DurasamplIR II
CAS Registry Number 183232-66-8
Copyright Copyright © 2019-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 554.013711711 u
Formula C22H21Cl2IN4O
InChI InChI=1S/C22H21Cl2IN4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-7-16(23)13-18(19)24)21(14)15-5-8-17(25)9-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)
InChIKey BUZAJRPLUGXRAB-UHFFFAOYSA-N
Instrument Name Bio-Rad FTS
Molecular Weight 555.247 g/mol
Purity ≥98%
Resolution 4
SMILES C1(=NN(C(=C1C)C=1C=CC(=CC1)I)C=1C(=CC(=CC1)Cl)Cl)C(=O)NN1CCCCC1
Scan Speed (number) 5
Source of Spectrum Forensic Spectral Research
Synonyms 1-(2,4-dichlorophenyl)-5-(4-iodophenyl)-4-methyl-N-1-piperidinyl-1H-pyrazole-3-carboxamide
Technique ATR-Neat