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Cyclohexanol, 2-(4-chloro-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-, cis-
SpectraBase Compound ID 8SLqa6yI8ox
InChI InChI=1S/C13H16ClN3O/c1-8-6-9-12(14)15-7-16-13(9)17(8)10-4-2-3-5-11(10)18/h6-7,10-11,18H,2-5H2,1H3/t10-,11+/m1/s1
InChIKey QMTAAMVVUZPHNN-MNOVXSKESA-N
Mol Weight 265.74 g/mol
Molecular Formula C13H16ClN3O
Exact Mass 265.09819 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EJAmYlP83RC
Name Cyclohexanol, 2-(4-chloro-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-, cis-
CAS Registry Number 88095-27-6
Comments Less than 3 mono-isotopic peaks
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Formula C13H16ClN3O
InChI InChI=1S/C13H16ClN3O/c1-8-6-9-12(14)15-7-16-13(9)17(8)10-4-2-3-5-11(10)18/h6-7,10-11,18H,2-5H2,1H3/t10-,11+/m1/s1
InChIKey QMTAAMVVUZPHNN-MNOVXSKESA-N
Molecular Weight 265.744 g/mol
SMILES O[C@@]1([C@]([n]2c3c(cc2C)c(Cl)ncn3)(CCCC1)[H])[H]
SPLASH splash10-014i-0920000000-9d30ef9408ac6e882e60
Source of Spectrum Y-20-927-3
Synonyms (1S,2R)-2-(4-chloro-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-7-yl)cyclohexanol 7-(cis-2'-hydroxy-1'-cyclohexyl)-4-chloro-6-methylpyrrolo[2,3-d]pyrimidine 7H-pyrrolo[2,3-d]pyrimidine, cyclohexanol deriv. (1S,2R)-2-(4-chloro-6-methyl-7-pyrrolo[2,3-d]pyrimidinyl)-1-cyclohexanol (1S,2R)-2-(4-chloro-6-methylpyrrolo[2,3-d]pyrimidin-7-yl)cyclohexan-1-ol (1S,2R)-2-(4-chloranyl-6-methyl-pyrrolo[2,3-d]pyrimidin-7-yl)cyclohexan-1-ol
Wiley ID 1268863