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exo-9-Benzyl-6-(bicyclo[2,2,1]hep-5-en-2-yl)-9H-purine
SpectraBase Compound ID 6DclwgNNeQ3
InChI InChI=1S/C19H18N4/c1-2-4-13(5-3-1)10-23-12-22-18-17(20-11-21-19(18)23)16-9-14-6-7-15(16)8-14/h1-7,11-12,14-16H,8-10H2/t14-,15+,16-/m1/s1
InChIKey RKXIWQFCYUADOQ-OWCLPIDISA-N
Mol Weight 302.38 g/mol
Molecular Formula C19H18N4
Exact Mass 302.153147 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 35B2qIHQAK
Name exo-9-Benzyl-6-(bicyclo[2,2,1]hep-5-en-2-yl)-9H-purine
Alternate Name(s) endo-9-Benzyl-6-(bicyclo[2,2,1]hep-5-en-2-yl)-9H-purine 9-Benzyl-6-bicyclo[2.2.1]hept-5-en-2-yl-9H-purine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H18N4
InChI InChI=1S/C19H18N4/c1-2-4-13(5-3-1)10-23-12-22-18-17(20-11-21-19(18)23)16-9-14-6-7-15(16)8-14/h1-7,11-12,14-16H,8-10H2/t14-,15+,16-/m1/s1
InChIKey RKXIWQFCYUADOQ-OWCLPIDISA-N
Molecular Weight 302.381 g/mol
SMILES c12c([n](Cc3ccccc3)cn1)ncnc2[C@]1([C@]2(C=C[C@@](C1)(C2)[H])[H])[H]
SPLASH splash10-000f-9071000000-09d13f1b38da08bf115b
Source of Spectrum F-53-1783-3
Wiley ID 800450