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6-O-allyl-2'-deoxy-2-N-(methoxycarbonylmethyl)guanosine
SpectraBase Compound ID 9PgP80lMH7I
InChI InChI=1S/C16H21N5O6/c1-3-4-26-15-13-14(19-16(20-15)17-6-12(24)25-2)21(8-18-13)11-5-9(23)10(7-22)27-11/h3,8-11,22-23H,1,4-7H2,2H3,(H,17,19,20)/t9-,10+,11+/m0/s1
InChIKey GVXUNYICBVAJLW-HBNTYKKESA-N
Mol Weight 379.37 g/mol
Molecular Formula C16H21N5O6
Exact Mass 379.149183 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 24yojDbeoHi
Name 6-O-allyl-2'-deoxy-2-N-(methoxycarbonylmethyl)guanosine
Alternate Name(s) Methyl 2-({9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-(prop-2-en-1-yloxy)-9H-purin-2-yl}amino)acetate
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Formula C16H21N5O6
InChI InChI=1S/C16H21N5O6/c1-3-4-26-15-13-14(19-16(20-15)17-6-12(24)25-2)21(8-18-13)11-5-9(23)10(7-22)27-11/h3,8-11,22-23H,1,4-7H2,2H3,(H,17,19,20)/t9-,10+,11+/m0/s1
InChIKey GVXUNYICBVAJLW-HBNTYKKESA-N
Molecular Weight 379.373 g/mol
SMILES N(c1nc(c2c([n]([C@]3(C[C@@]([C@](O3)(CO)[H])(O)[H])[H])cn2)n1)OCC=C)CC(=O)OC
SPLASH splash10-0f7o-9140000000-611a9e9b10b39588a033
Source of Spectrum KC-0-1891-0
Wiley ID 822748