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1-[N(9)-Ethynyladenine]cyclohexan-1-ol
SpectraBase Compound ID 9Et4AlgIcMG
InChI InChI=1S/C13H15N5O/c1-2-18-9-16-10-11(14-8-15-12(10)18)17-13(19)6-4-3-5-7-13/h1,8-9,19H,3-7H2,(H,14,15,17)
InChIKey MBMLNTFZYUYZSU-UHFFFAOYSA-N
Mol Weight 257.3 g/mol
Molecular Formula C13H15N5O
Exact Mass 257.12766 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Q48j4V3ddA
Name 1-[N(9)-Ethynyladenine]cyclohexan-1-ol
Alternate Name(s) 1-[(9-ethynyl-9H-purin-6-yl)amino]cyclohexanol
Comments Less than 3 mono-isotopic peaks
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Formula C13H15N5O
InChI InChI=1S/C13H15N5O/c1-2-18-9-16-10-11(14-8-15-12(10)18)17-13(19)6-4-3-5-7-13/h1,8-9,19H,3-7H2,(H,14,15,17)
InChIKey MBMLNTFZYUYZSU-UHFFFAOYSA-N
Molecular Weight 257.297 g/mol
SMILES N(c1c2nc[n](c2ncn1)C#C)C1(O)CCCCC1
SPLASH splash10-03di-0090000000-7382e084b41d55ff8fcb
Source of Spectrum KC-0-1097-42
Wiley ID 781235