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3-o-fluorobenzyl-4,5-dimethyl-4-hydroxy-7-methylsulfonyl-8-cyano-3,4-dihydropyrido[4,3-d]pyrimidine
SpectraBase Compound ID 1fsDHGbuN5q
InChI InChI=1S/C18H17FN4O3S/c1-11-15-16(13(8-20)17(22-11)27(3,25)26)21-10-23(18(15,2)24)9-12-6-4-5-7-14(12)19/h4-7,10,24H,9H2,1-3H3
InChIKey LWZUJOJFEGAYCG-UHFFFAOYSA-N
Mol Weight 388.42 g/mol
Molecular Formula C18H17FN4O3S
Exact Mass 388.10054 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DwkqMy5LdHK
Name 3-o-fluorobenzyl-4,5-dimethyl-4-hydroxy-7-methylsulfonyl-8-cyano-3,4-dihydropyrido[4,3-d]pyrimidine
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17FN4O3S
InChI InChI=1S/C18H17FN4O3S/c1-11-15-16(13(8-20)17(22-11)27(3,25)26)21-10-23(18(15,2)24)9-12-6-4-5-7-14(12)19/h4-7,10,24H,9H2,1-3H3
InChIKey LWZUJOJFEGAYCG-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 388.417 g/mol
SMILES OC1(c2c(nc(c(c2N=CN1Cc1c(cccc1)F)C#N)S(C)(=O)=O)C)C
SPLASH splash10-0a4l-9000000000-a550ae2b0f3aaa607765
Source of Spectrum CN101619063A
Wiley ID 1841456