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exo-[1-[N-[2-(4,7-methano-1H-isoindol-1,3(2H)-dion-1-yl)ethyl]acetamido]adenine monomer
SpectraBase Compound ID ArVxa178KtR
InChI InChI=1S/C18H19N7O3/c19-15-14-16(22-7-21-15)24(8-23-14)6-11(26)20-3-4-25-17(27)12-9-1-2-10(5-9)13(12)18(25)28/h1-2,7-10,12-13H,3-6H2,(H,20,26)(H2,19,21,22)/t9-,10+,12?,13?
InChIKey AUQSPJOWZXBQSB-ASZHBFLOSA-N
Mol Weight 381.4 g/mol
Molecular Formula C18H19N7O3
Exact Mass 381.154937 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IHgfB98uHfa
Name exo-[1-[N-[2-(4,7-methano-1H-isoindol-1,3(2H)-dion-1-yl)ethyl]acetamido]adenine monomer
Comments Less than 3 mono-isotopic peaks
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Formula C18H19N7O3
InChI InChI=1S/C18H19N7O3/c19-15-14-16(22-7-21-15)24(8-23-14)6-11(26)20-3-4-25-17(27)12-9-1-2-10(5-9)13(12)18(25)28/h1-2,7-10,12-13H,3-6H2,(H,20,26)(H2,19,21,22)/t9-,10+,12?,13?
InChIKey AUQSPJOWZXBQSB-ASZHBFLOSA-N
Molecular Weight 381.396 g/mol
SMILES N(C(C[n]1c2c(c(ncn2)N)nc1)=O)CCN1C(C2[C@]3(C=C[C@@](C2C1=O)(C3)[H])[H])=O
SPLASH splash10-001i-0009000000-40ce45442e65ee73e570
Source of Spectrum K-2001-3374-17
Wiley ID 1580208