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N-(Phenoxycarbonyl)-8-caffeinamine
SpectraBase Compound ID LQKtjl5xgU2
InChI InChI=1S/C15H15N5O4/c1-18-10-11(19(2)15(23)20(3)12(10)21)16-13(18)17-14(22)24-9-7-5-4-6-8-9/h4-8H,1-3H3,(H,16,17,22)
InChIKey SUNKOJHTIOAPNW-UHFFFAOYSA-N
Mol Weight 329.32 g/mol
Molecular Formula C15H15N5O4
Exact Mass 329.112404 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ECEbXfJDEY0
Name N-(Phenoxycarbonyl)-8-caffeinamine
Comments Less than 3 mono-isotopic peaks
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Formula C15H15N5O4
InChI InChI=1S/C15H15N5O4/c1-18-10-11(19(2)15(23)20(3)12(10)21)16-13(18)17-14(22)24-9-7-5-4-6-8-9/h4-8H,1-3H3,(H,16,17,22)
InChIKey SUNKOJHTIOAPNW-UHFFFAOYSA-N
Molecular Weight 329.316 g/mol
SMILES N(c1nc2c(C(=O)N(C(N2C)=O)C)[n]1C)C(Oc1ccccc1)=O
SPLASH splash10-016r-9008000000-8b52456d00f39987a77c
Source of Spectrum Y-32-945-16
Synonyms phenyl 1,3,7-trimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-ylcarbamate
Wiley ID 1326980