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(E)/(Z)-9-{[2-(Benzyloxymethyl)-1-hydroxycyclohexyl]methyl}-N(6)-benzoyladenine
SpectraBase Compound ID CEFMjheyNca
InChI InChI=1S/C27H29N5O3/c33-26(21-11-5-2-6-12-21)31-24-23-25(29-18-28-24)32(19-30-23)17-27(34)14-8-7-13-22(27)16-35-15-20-9-3-1-4-10-20/h1-6,9-12,18-19,22,34H,7-8,13-17H2,(H,28,29,31,33)
InChIKey BOIUMIVCHBFLTD-UHFFFAOYSA-N
Mol Weight 471.56 g/mol
Molecular Formula C27H29N5O3
Exact Mass 471.22704 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KgoqQDkh4zk
Name (E)/(Z)-9-{[2-(Benzyloxymethyl)-1-hydroxycyclohexyl]methyl}-N(6)-benzoyladenine
Comments Less than 3 mono-isotopic peaks
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Formula C27H29N5O3
InChI InChI=1S/C27H29N5O3/c33-26(21-11-5-2-6-12-21)31-24-23-25(29-18-28-24)32(19-30-23)17-27(34)14-8-7-13-22(27)16-35-15-20-9-3-1-4-10-20/h1-6,9-12,18-19,22,34H,7-8,13-17H2,(H,28,29,31,33)
InChIKey BOIUMIVCHBFLTD-UHFFFAOYSA-N
Molecular Weight 471.561 g/mol
SMILES OC1(C[n]2c3c(c(ncn3)NC(=O)c3ccccc3)nc2)C(COCc2ccccc2)CCCC1
SPLASH splash10-0006-9000000000-3cac974a5067e1a5cb8e
Source of Spectrum J-65-5184-49
Synonyms N-[9-({2-[(benzyloxy)methyl]-1-hydroxycyclohexyl}methyl)-9H-purin-6-yl]benzamide
Wiley ID 1533019