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(2S)-2-methyl-5-(7H-purin-6-yl)-4-pentyn-1-ol
SpectraBase Compound ID 3bBlZ7UJiCY
InChI InChI=1S/C11H12N4O/c1-8(5-16)3-2-4-9-10-11(14-6-12-9)15-7-13-10/h6-8,16H,3,5H2,1H3,(H,12,13,14,15)/t8-/m0/s1
InChIKey WHSBASYRCPNJGF-QMMMGPOBSA-N
Mol Weight 216.24 g/mol
Molecular Formula C11H12N4O
Exact Mass 216.101111 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DTRwoEIkyvN
Name (2S)-2-methyl-5-(7H-purin-6-yl)-4-pentyn-1-ol
Comments Less than 3 mono-isotopic peaks
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Formula C11H12N4O
InChI InChI=1S/C11H12N4O/c1-8(5-16)3-2-4-9-10-11(14-6-12-9)15-7-13-10/h6-8,16H,3,5H2,1H3,(H,12,13,14,15)/t8-/m0/s1
InChIKey WHSBASYRCPNJGF-QMMMGPOBSA-N
Molecular Weight 216.244 g/mol
SMILES N1C(C#CC[C@@](CO)(C)[H])=C2C(=NC=N2)N=C1
SPLASH splash10-0udi-0090000000-a1b1ab8d2fb7dd633bef
Source of Spectrum H-2005-4992-5
Synonyms (2S)-2-methyl-5-(7H-purin-6-yl)pent-4-yn-1-ol
Wiley ID 1588043