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6-[(E)-2-(4-chlorophenyl)ethenyl]-9-(2-oxanyl)purine
SpectraBase Compound ID 21uLugKnhSk
InChI InChI=1S/C18H17ClN4O/c19-14-7-4-13(5-8-14)6-9-15-17-18(21-11-20-15)23(12-22-17)16-3-1-2-10-24-16/h4-9,11-12,16H,1-3,10H2/b9-6+
InChIKey UCGUXHWMDKGNDS-RMKNXTFCSA-N
Mol Weight 340.81 g/mol
Molecular Formula C18H17ClN4O
Exact Mass 340.109089 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7OqUArcql84
Name 6-[(E)-2-(4-chlorophenyl)ethenyl]-9-(2-oxanyl)purine
Alternate Name(s) 6-[(E)-2-(4-chlorophenyl)ethenyl]-9-(oxan-2-yl)purine 6-[(E)-2-(4-chlorophenyl)vinyl]-9-tetrahydropyran-2-yl-purine
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Formula C18H17ClN4O
InChI InChI=1S/C18H17ClN4O/c19-14-7-4-13(5-8-14)6-9-15-17-18(21-11-20-15)23(12-22-17)16-3-1-2-10-24-16/h4-9,11-12,16H,1-3,10H2/b9-6+
InChIKey UCGUXHWMDKGNDS-RMKNXTFCSA-N
Molecular Weight 340.814 g/mol
SMILES c12[n](cnc2c(\C=C\c2ccc(cc2)Cl)ncn1)C1OCCCC1
SPLASH splash10-0a4i-0091000000-310369f7bb4175abb24a
Source of Spectrum F-55-218-3
Wiley ID 836495