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Diethyl (2,4-Diamino-3-cyano-7-methyl-5H-chromeno[2,3-b]-pyridin-5-yl)phosphonate
SpectraBase Compound ID 8OZdz0CeFx0
InChI InChI=1S/C18H21N4O4P/c1-4-24-27(23,25-5-2)16-11-8-10(3)6-7-13(11)26-18-14(16)15(20)12(9-19)17(21)22-18/h6-8,16H,4-5H2,1-3H3,(H4,20,21,22)
InChIKey BIPIKOGFBCRPNW-UHFFFAOYSA-N
Mol Weight 388.36 g/mol
Molecular Formula C18H21N4O4P
Exact Mass 388.130042 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CjHLNJ5FAP8
Name Diethyl (2,4-Diamino-3-cyano-7-methyl-5H-chromeno[2,3-b]-pyridin-5-yl)phosphonate
Appearance Yellowish powder
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Exact Mass 388.130042166 u
Formula C18H21N4O4P
InChI InChI=1S/C18H21N4O4P/c1-4-24-27(23,25-5-2)16-11-8-10(3)6-7-13(11)26-18-14(16)15(20)12(9-19)17(21)22-18/h6-8,16H,4-5H2,1-3H3,(H4,20,21,22)
InChIKey BIPIKOGFBCRPNW-UHFFFAOYSA-N
Instrument Name Finningan MAT INCOS 50
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201900240
Molecular Weight 388.364 g/mol
Quality 168
SMILES NC1=NC=2OC=3C=CC(=CC3C(C2C(=C1C#N)N)P(OCC)(OCC)=O)C
SPLASH splash10-0udi-2290000000-23386e40949234928452
Source of Spectrum K1-2019-4175-3b (DOI: 10.1002/ejoc.201900240)
Wiley ID 1891897