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Cyclohexanone, 2-(9-ethyl-9H-purin-6-yl)-2-methyl-
SpectraBase Compound ID DJmjiC2qLMo
InChI InChI=1S/C14H18N4O/c1-3-18-9-17-11-12(15-8-16-13(11)18)14(2)7-5-4-6-10(14)19/h8-9H,3-7H2,1-2H3
InChIKey FFZDWHMVPZPEGF-UHFFFAOYSA-N
Mol Weight 258.32 g/mol
Molecular Formula C14H18N4O
Exact Mass 258.148061 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DC2pZkDhfBl
Name Cyclohexanone, 2-(9-ethyl-9H-purin-6-yl)-2-methyl-
CAS Registry Number 95589-59-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18N4O
InChI InChI=1S/C14H18N4O/c1-3-18-9-17-11-12(15-8-16-13(11)18)14(2)7-5-4-6-10(14)19/h8-9H,3-7H2,1-2H3
InChIKey FFZDWHMVPZPEGF-UHFFFAOYSA-N
Molecular Weight 258.325 g/mol
SMILES c12nc[n](c2ncnc1C1(C(=O)CCCC1)C)CC
SPLASH splash10-014i-0490000000-e0a6f9fb39ce6bd6ee39
Source of Spectrum J-50-5073-7
Synonyms 2-(9-Ethyl-9H-purin-6-yl)-2-methylcyclohexanone 6-(2-Methylcyclohexanon-2-yl)-9-ethylpurine
Wiley ID 1261675