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[5-(6-chloranylpurin-9-yl)cyclohex-3-en-1-yl]methanol
SpectraBase Compound ID HTwAWhWGuqm
InChI InChI=1S/C12H13ClN4O/c13-11-10-12(15-6-14-11)17(7-16-10)9-3-1-2-8(4-9)5-18/h1,3,6-9,18H,2,4-5H2/t8-,9-/m1/s1
InChIKey UGOWXKRAJKHQPX-RKDXNWHRSA-N
Mol Weight 264.72 g/mol
Molecular Formula C12H13ClN4O
Exact Mass 264.077789 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GbyrJTrX26P
Name [5-(6-chloranylpurin-9-yl)cyclohex-3-en-1-yl]methanol
Alternate Name(s) [5-(6-chloro-9-purinyl)-1-cyclohex-3-enyl]methanol [5-(6-chloropurin-9-yl)cyclohex-3-en-1-yl]methanol
Comments Less than 3 mono-isotopic peaks
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Formula C12H13ClN4O
InChI InChI=1S/C12H13ClN4O/c13-11-10-12(15-6-14-11)17(7-16-10)9-3-1-2-8(4-9)5-18/h1,3,6-9,18H,2,4-5H2/t8-,9-/m1/s1
InChIKey UGOWXKRAJKHQPX-RKDXNWHRSA-N
Molecular Weight 264.716 g/mol
SMILES OC[C@]1(C[C@]([n]2c3c(c(Cl)ncn3)nc2)(C=CC1)[H])[H]
SPLASH splash10-0a4i-0940000000-c98ebc55ac5e8cde2768
Source of Spectrum F-52-8975-12
Wiley ID 797370