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Pyrimethamine
SpectraBase Compound ID DTg8AENB8dR
InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)
InChIKey WKSAUQYGYAYLPV-UHFFFAOYSA-N
Mol Weight 248.72 g/mol
Molecular Formula C12H13ClN4
Exact Mass 248.082874 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID LEbg8KUtcnX
Name Pyrimethamine
Source of Sample Cayman Chemical Company
Catalog Number 16472
Lot Number 0460982-7
Accessory DurasamplIR II
Apodization Function Norton-Beer, medium
CAS Registry Number 58-14-0
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Formula C12H13ClN4
IUPAC Name 5,4-Chlorophenyl-6-ethyl-2,4-pyrimidinediamine
InChI InChI=1S/C12H13ClN4/c1-2-9-10(11(14)17-12(15)16-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H4,14,15,16,17)
InChIKey WKSAUQYGYAYLPV-UHFFFAOYSA-N
Instrument Name Bio-Rad FTS
SMILES Nc1c(c(nc(n1)N)CC)-c1ccc(cc1)Cl
Source of Spectrum Forensic Spectral Research
Synonyms Darapram; Khloridin; NSC 3061
Technique ATR-Neat