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[4-(2-amino-6-chloro-purin-9-yl)cyclohex-2-en-1-yl]methyl methyl carbonate
SpectraBase Compound ID BXFRWUSr35h
InChI InChI=1S/C14H16ClN5O3/c1-22-14(21)23-6-8-2-4-9(5-3-8)20-7-17-10-11(15)18-13(16)19-12(10)20/h2,4,7-9H,3,5-6H2,1H3,(H2,16,18,19)/t8-,9+/m1/s1
InChIKey IJKCZUSLSSSVON-BDAKNGLRSA-N
Mol Weight 337.77 g/mol
Molecular Formula C14H16ClN5O3
Exact Mass 337.094167 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7MgZwBTtU9q
Name [4-(2-amino-6-chloro-purin-9-yl)cyclohex-2-en-1-yl]methyl methyl carbonate
Alternate Name(s) [4-(2-azanyl-6-chloranyl-purin-9-yl)cyclohex-2-en-1-yl]methyl methyl carbonate carbonic acid [4-(2-amino-6-chloro-9-purinyl)-1-cyclohex-2-enyl]methyl methyl ester [4-(2-amino-6-chloropurin-9-yl)cyclohex-2-en-1-yl]methyl methyl carbonate
Comments Less than 3 mono-isotopic peaks
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Formula C14H16ClN5O3
InChI InChI=1S/C14H16ClN5O3/c1-22-14(21)23-6-8-2-4-9(5-3-8)20-7-17-10-11(15)18-13(16)19-12(10)20/h2,4,7-9H,3,5-6H2,1H3,(H2,16,18,19)/t8-,9+/m1/s1
InChIKey IJKCZUSLSSSVON-BDAKNGLRSA-N
Molecular Weight 337.767 g/mol
SMILES Nc1nc(c2c([n](cn2)[C@]2(C=C[C@](CC2)(COC(=O)OC)[H])[H])n1)Cl
SPLASH splash10-004i-0090000000-87ae817de66b6ec257b8
Source of Spectrum F-52-805-11
Wiley ID 794751