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Ethyl 3-acetyl-1,5-bis( 9'-benzyl-6'-purinyl)pentane-3-carboxylate
SpectraBase Compound ID 7KaBV4VxMd4
InChI InChI=1S/C34H34N8O3/c1-3-45-33(44)34(24(2)43,16-14-27-29-31(37-20-35-27)41(22-39-29)18-25-10-6-4-7-11-25)17-15-28-30-32(38-21-36-28)42(23-40-30)19-26-12-8-5-9-13-26/h4-13,20-23H,3,14-19H2,1-2H3
InChIKey URSDEPOGZKFMSJ-UHFFFAOYSA-N
Mol Weight 602.7 g/mol
Molecular Formula C34H34N8O3
Exact Mass 602.275387 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GxolvDFT6HY
Name Ethyl 3-acetyl-1,5-bis( 9'-benzyl-6'-purinyl)pentane-3-carboxylate
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Formula C34H34N8O3
InChI InChI=1S/C34H34N8O3/c1-3-45-33(44)34(24(2)43,16-14-27-29-31(37-20-35-27)41(22-39-29)18-25-10-6-4-7-11-25)17-15-28-30-32(38-21-36-28)42(23-40-30)19-26-12-8-5-9-13-26/h4-13,20-23H,3,14-19H2,1-2H3
InChIKey URSDEPOGZKFMSJ-UHFFFAOYSA-N
Molecular Weight 602.699 g/mol
SMILES c12[n](cnc2c(CCC(C(=O)OCC)(CCc2c3c([n](Cc4ccccc4)cn3)ncn2)C(=O)C)ncn1)Cc1ccccc1
SPLASH splash10-006x-7091000000-cd41e3e71171e9874564
Source of Spectrum SB-51-1122-11
Synonyms Ethyl 2,2-bis[2-(9-benzyl-9H-purin-6-yl)ethyl]-3-oxobutanoate
Wiley ID 1410303