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2-[N(9)-ethynyladenine]propan-2-ol
SpectraBase Compound ID L41mfV5eqnR
InChI InChI=1S/C10H11N5O/c1-4-15-6-13-7-8(14-10(2,3)16)11-5-12-9(7)15/h1,5-6,16H,2-3H3,(H,11,12,14)
InChIKey CXYSQLPFBKYCAC-UHFFFAOYSA-N
Mol Weight 217.23 g/mol
Molecular Formula C10H11N5O
Exact Mass 217.09636 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AB1NmpN1SuN
Name 2-[N(9)-ethynyladenine]propan-2-ol
Comments Less than 3 mono-isotopic peaks
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Formula C10H11N5O
InChI InChI=1S/C10H11N5O/c1-4-15-6-13-7-8(14-10(2,3)16)11-5-12-9(7)15/h1,5-6,16H,2-3H3,(H,11,12,14)
InChIKey CXYSQLPFBKYCAC-UHFFFAOYSA-N
Molecular Weight 217.232 g/mol
SMILES N(c1c2nc[n](c2ncn1)C#C)C(O)(C)C
SPLASH splash10-0udi-0090000000-37fb2545871e60700ca7
Source of Spectrum KC-0-1097-41
Synonyms 2-[(9-ethynyl-9H-purin-6-yl)amino]-2-propanol
Wiley ID 781236