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Diethyl (2,4-Diamino-7-chloro-3-cyano-5H-chromeno[2,3-b]-pyridin-5-yl)phosphonate
SpectraBase Compound ID Ai5wJcjCskP
InChI InChI=1S/C17H18ClN4O4P/c1-3-24-27(23,25-4-2)15-10-7-9(18)5-6-12(10)26-17-13(15)14(20)11(8-19)16(21)22-17/h5-7,15H,3-4H2,1-2H3,(H4,20,21,22)
InChIKey KZFZDZIKFQWRSJ-UHFFFAOYSA-N
Mol Weight 408.78 g/mol
Molecular Formula C17H18ClN4O4P
Exact Mass 408.07542 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KFKDz0FuuUI
Name Diethyl (2,4-Diamino-7-chloro-3-cyano-5H-chromeno[2,3-b]-pyridin-5-yl)phosphonate
Appearance Yellow powder
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Exact Mass 408.075419770 u
Formula C17H18ClN4O4P
InChI InChI=1S/C17H18ClN4O4P/c1-3-24-27(23,25-4-2)15-10-7-9(18)5-6-12(10)26-17-13(15)14(20)11(8-19)16(21)22-17/h5-7,15H,3-4H2,1-2H3,(H4,20,21,22)
InChIKey KZFZDZIKFQWRSJ-UHFFFAOYSA-N
Instrument Name Finningan MAT INCOS 50
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201900240
Molecular Weight 408.782 g/mol
Quality 248
SMILES NC1=NC=2OC=3C=CC(=CC3C(C2C(=C1C#N)N)P(OCC)(OCC)=O)Cl
SPLASH splash10-00di-0090000000-a4d819be2129a582cbb5
Source of Spectrum K1-2019-4176-3f (DOI: 10.1002/ejoc.201900240)
Wiley ID 1891901