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Dimethyl (2,4-Diamino-7-bromo-3-cyano-5H-chromeno[2,3-b]-pyridin-5-yl)phosphonate
SpectraBase Compound ID 6jMN9LL2dJH
InChI InChI=1S/C15H14BrN4O4P/c1-22-25(21,23-2)13-8-5-7(16)3-4-10(8)24-15-11(13)12(18)9(6-17)14(19)20-15/h3-5,13H,1-2H3,(H4,18,19,20)
InChIKey TUHMFKIBZQYKPC-UHFFFAOYSA-N
Mol Weight 425.18 g/mol
Molecular Formula C15H14BrN4O4P
Exact Mass 423.993605 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L8KQRpBDlOK
Name Dimethyl (2,4-Diamino-7-bromo-3-cyano-5H-chromeno[2,3-b]-pyridin-5-yl)phosphonate
Appearance Yellow powder
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Exact Mass 423.993604941 u
Formula C15H14BrN4O4P
InChI InChI=1S/C15H14BrN4O4P/c1-22-25(21,23-2)13-8-5-7(16)3-4-10(8)24-15-11(13)12(18)9(6-17)14(19)20-15/h3-5,13H,1-2H3,(H4,18,19,20)
InChIKey TUHMFKIBZQYKPC-UHFFFAOYSA-N
Instrument Name Finningan MAT INCOS 50
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201900240
Molecular Weight 425.179 g/mol
Quality 315
SMILES NC1=NC=2OC=3C=CC(=CC3C(C2C(=C1C#N)N)P(OC)(OC)=O)Br
SPLASH splash10-066r-6948000000-013d7fdc975e5cd6a8f2
Source of Spectrum K1-2019-4177-3m (DOI: 10.1002/ejoc.201900240)
Wiley ID 1891905