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(E)-3-[9-((2R,3R,4S,5R)-3,4-Dihydroxy-5-methyl-tetrahydro-furan-2-yl)-9H-purin-6-ylamino]-propenal
SpectraBase Compound ID LGsfhEgnRKG
InChI InChI=1S/C13H15N5O4/c1-7-9(20)10(21)13(22-7)18-6-17-8-11(14-3-2-4-19)15-5-16-12(8)18/h2-7,9-10,13,20-21H,1H3,(H,14,15,16)/b3-2+/t7-,9-,10-,13-/m1/s1
InChIKey XXMIHZZZLGQZIX-VECBDBMCSA-N
Mol Weight 305.29 g/mol
Molecular Formula C13H15N5O4
Exact Mass 305.112404 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID XiJm1xxhIk
Name (E)-3-[9-((2R,3R,4S,5R)-3,4-Dihydroxy-5-methyl-tetrahydro-furan-2-yl)-9H-purin-6-ylamino]-propenal
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H15N5O4
InChI InChI=1S/C13H15N5O4/c1-7-9(20)10(21)13(22-7)18-6-17-8-11(14-3-2-4-19)15-5-16-12(8)18/h2-7,9-10,13,20-21H,1H3,(H,14,15,16)/b3-2+/t7-,9-,10-,13-/m1/s1
InChIKey XXMIHZZZLGQZIX-VECBDBMCSA-N
Molecular Weight 305.294 g/mol
SMILES O[C@@]1([C@](O[C@]([C@@]1(O)[H])([n]1c2c(c(ncn2)N\C=C\C=O)nc1)[H])(C)[H])[H]
SPLASH splash10-03dr-0920000000-c12e8eea98245c585fac
Source of Spectrum CRT-10-1181-M1A-dR
Synonyms 3-[2'-Deoxyribofuranosyl-N(6)-Adenosinyl]-propenal
Wiley ID 1709652