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Diethyl (2,4-Diamino-3-cyano-8-methoxy-5H-chromeno[2,3-b]-pyridin-5-yl)phosphonate
SpectraBase Compound ID Ivsag2Dcvmn
InChI InChI=1S/C18H21N4O5P/c1-4-25-28(23,26-5-2)16-11-7-6-10(24-3)8-13(11)27-18-14(16)15(20)12(9-19)17(21)22-18/h6-8,16H,4-5H2,1-3H3,(H4,20,21,22)
InChIKey TXGHVNPFEREVOK-UHFFFAOYSA-N
Mol Weight 404.36 g/mol
Molecular Formula C18H21N4O5P
Exact Mass 404.124957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FD0IKDJ7Ja7
Name Diethyl (2,4-Diamino-3-cyano-8-methoxy-5H-chromeno[2,3-b]-pyridin-5-yl)phosphonate
Appearance Yellow powder
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Exact Mass 404.124956785 u
Formula C18H21N4O5P
InChI InChI=1S/C18H21N4O5P/c1-4-25-28(23,26-5-2)16-11-7-6-10(24-3)8-13(11)27-18-14(16)15(20)12(9-19)17(21)22-18/h6-8,16H,4-5H2,1-3H3,(H4,20,21,22)
InChIKey TXGHVNPFEREVOK-UHFFFAOYSA-N
Instrument Name Finningan MAT INCOS 50
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.201900240
Molecular Weight 404.363 g/mol
Quality 203
SMILES NC1=NC=2OC=3C=C(C=CC3C(C2C(=C1C#N)N)P(OCC)(OCC)=O)OC
SPLASH splash10-014i-0090000000-b113fe00a953e8affc5b
Source of Spectrum K1-2019-4175-3c (DOI: 10.1002/ejoc.201900240)
Wiley ID 1891898