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9-Benzyl-6-(4-carboethoxyphenyl)purine
SpectraBase Compound ID 5aDGWGVXyQo
InChI InChI=1S/C21H18N4O2/c1-2-27-21(26)17-10-8-16(9-11-17)18-19-20(23-13-22-18)25(14-24-19)12-15-6-4-3-5-7-15/h3-11,13-14H,2,12H2,1H3
InChIKey CXAJUQGDFHQELU-UHFFFAOYSA-N
Mol Weight 358.4 g/mol
Molecular Formula C21H18N4O2
Exact Mass 358.142976 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EqnbEyHc5IG
Name 9-Benzyl-6-(4-carboethoxyphenyl)purine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H18N4O2
InChI InChI=1S/C21H18N4O2/c1-2-27-21(26)17-10-8-16(9-11-17)18-19-20(23-13-22-18)25(14-24-19)12-15-6-4-3-5-7-15/h3-11,13-14H,2,12H2,1H3
InChIKey CXAJUQGDFHQELU-UHFFFAOYSA-N
Molecular Weight 358.401 g/mol
SMILES c12c([n](Cc3ccccc3)cn1)ncnc2-c1ccc(C(=O)OCC)cc1
SPLASH splash10-052f-6009000000-8f1b8ce0aef4819d7c22
Source of Spectrum F-53-7252-21
Synonyms Ethyl 4-(9-benzyl-9H-purin-6-yl)benzoate
Wiley ID 802201