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4-(Dichloromethyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-5-nitropyrimidine
SpectraBase Compound ID 4gNqGjNNlX8
InChI InChI=1S/C16H16Cl2FN5O2/c1-10-20-13(15(17)18)14(24(25)26)16(21-10)23-8-6-22(7-9-23)12-4-2-11(19)3-5-12/h2-5,15H,6-9H2,1H3
InChIKey RATOZLRIDLEWJW-UHFFFAOYSA-N
Mol Weight 400.24 g/mol
Molecular Formula C16H16Cl2FN5O2
Exact Mass 399.066508 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5iRTDBEa3w8
Name 4-(Dichloromethyl)-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-5-nitropyrimidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16Cl2FN5O2
InChI InChI=1S/C16H16Cl2FN5O2/c1-10-20-13(15(17)18)14(24(25)26)16(21-10)23-8-6-22(7-9-23)12-4-2-11(19)3-5-12/h2-5,15H,6-9H2,1H3
InChIKey RATOZLRIDLEWJW-UHFFFAOYSA-N
Molecular Weight 400.241 g/mol
SMILES c1(c(nc(nc1N1CCN(CC1)c1ccc(cc1)F)C)C(Cl)Cl)N(=O)=O
SPLASH splash10-0udi-0901000000-1e5e2814bcb025f969fc
Source of Spectrum F4-40-308-9
Wiley ID 1670186