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[5-(2-amino-6-chloro-9-purinyl)-1-cyclohex-3-enyl]methanol

View entire compound with spectra: 1 MS (GC)

[5-(2-amino-6-chloro-9-purinyl)-1-cyclohex-3-enyl]methanol
SpectraBase Compound ID ALRNmLJYuUC
InChI InChI=1S/C12H14ClN5O/c13-10-9-11(17-12(14)16-10)18(6-15-9)8-3-1-2-7(4-8)5-19/h1,3,6-8,19H,2,4-5H2,(H2,14,16,17)/t7-,8-/m1/s1
InChIKey CJGAYTCGHURRJD-UHFFFAOYSA-N
Mol Weight 279.73 g/mol
Molecular Formula C12H14ClN5O
Exact Mass 279.088688 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 79tYFtnf7U7
Name [5-(2-amino-6-chloro-9-purinyl)-1-cyclohex-3-enyl]methanol
Comments Less than 3 mono-isotopic peaks
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Formula C12H14ClN5O
InChI InChI=1S/C12H14ClN5O/c13-10-9-11(17-12(14)16-10)18(6-15-9)8-3-1-2-7(4-8)5-19/h1,3,6-8,19H,2,4-5H2,(H2,14,16,17)/t7-,8-/m1/s1
InChIKey CJGAYTCGHURRJD-UHFFFAOYSA-N
Molecular Weight 279.731 g/mol
SMILES Nc1nc(c2c([n]([C@]3(C[C@](CO)(CC=C3)[H])[H])cn2)n1)Cl
SPLASH splash10-00di-0910000000-478e6d4c3c5b2ac9952b
Source of Spectrum F-52-8975-13
Synonyms [5-(2-amino-6-chloro-purin-9-yl)cyclohex-3-en-1-yl]methanol [5-(2-azanyl-6-chloranyl-purin-9-yl)cyclohex-3-en-1-yl]methanol
Wiley ID 797369