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3-p-fluorophenethyl-4,5-dimethyl-4-hydroxy-7-methylsulfone-8-cyano-3,4-dihydropyrido[4,3-d]pyrimidine
SpectraBase Compound ID AKTwbpcqCh0
InChI InChI=1S/C19H19FN4O3S/c1-12-16-17(15(10-21)18(23-12)28(3,26)27)22-11-24(19(16,2)25)9-8-13-4-6-14(20)7-5-13/h4-7,11,25H,8-9H2,1-3H3
InChIKey BSXZAWMRLBPNJR-UHFFFAOYSA-N
Mol Weight 402.44 g/mol
Molecular Formula C19H19FN4O3S
Exact Mass 402.11619 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IM5SfI51Z0p
Name 3-p-fluorophenethyl-4,5-dimethyl-4-hydroxy-7-methylsulfone-8-cyano-3,4-dihydropyrido[4,3-d]pyrimidine
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H19FN4O3S
InChI InChI=1S/C19H19FN4O3S/c1-12-16-17(15(10-21)18(23-12)28(3,26)27)22-11-24(19(16,2)25)9-8-13-4-6-14(20)7-5-13/h4-7,11,25H,8-9H2,1-3H3
InChIKey BSXZAWMRLBPNJR-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 402.444 g/mol
SMILES OC1(c2c(nc(c(c2N=CN1CCc1ccc(cc1)F)C#N)S(C)(=O)=O)C)C
SPLASH splash10-0005-9200000000-7740741921ade8e3cbbf
Source of Spectrum CN101619063A
Wiley ID 1841459