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Pyrimethamine 2AC
SpectraBase Compound ID 8tMgO86hg6z
InChI InChI=1S/C16H17ClN4O2/c1-4-13-14(11-5-7-12(17)8-6-11)15(18-9(2)22)21-16(20-13)19-10(3)23/h5-8H,4H2,1-3H3,(H2,18,19,20,21,22,23)
InChIKey LLASVMNNSKMLMN-UHFFFAOYSA-N
Mol Weight 332.79 g/mol
Molecular Formula C16H17ClN4O2
Exact Mass 332.104004 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GnFJPf24DUm
Name Pyrimethamine 2AC
Classification Antimalarial
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 332.104003501 u
Formula C16H17ClN4O2
InChI InChI=1S/C16H17ClN4O2/c1-4-13-14(11-5-7-12(17)8-6-11)15(18-9(2)22)21-16(20-13)19-10(3)23/h5-8H,4H2,1-3H3,(H2,18,19,20,21,22,23)
InChIKey LLASVMNNSKMLMN-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 332.791 g/mol
SMILES CC(Nc1nc(c(c(n1)CC)-c1ccc(cc1)Cl)NC(=O)C)=O
SPLASH splash10-0002-1591000000-e58d764cf4c8592cc769
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Sample Preparation Procedure Detected: U+UHYAC
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_7977