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2-Acetyl-5-butyl-6-(9-tetrahydropyran-2-ylpurin-6-yl)indane-2-carboxylic acid ethyl ester
SpectraBase Compound ID CWKbeuUONoO
InChI InChI=1S/C28H34N4O4/c1-4-6-9-19-12-20-14-28(18(3)33,27(34)35-5-2)15-21(20)13-22(19)24-25-26(30-16-29-24)32(17-31-25)23-10-7-8-11-36-23/h12-13,16-17,23H,4-11,14-15H2,1-3H3
InChIKey WXUYANNCXLDYII-UHFFFAOYSA-N
Mol Weight 490.6 g/mol
Molecular Formula C28H34N4O4
Exact Mass 490.258006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 655GPSv5Gn1
Name 2-Acetyl-5-butyl-6-(9-tetrahydropyran-2-ylpurin-6-yl)indane-2-carboxylic acid ethyl ester
Alternate Name(s) 2-Acetyl-5-butyl-6-[9-(2-oxanyl)-6-purinyl]-1,3-dihydroindene-2-carboxylic acid ethyl ester Ethyl 2-acetyl-5-butyl-6-(9-tetrahydropyran-2-ylpurin-6-yl)indane-2-carboxylate Ethyl 2-acetyl-5-butyl-6-[9-(oxan-2-yl)purin-6-yl]-1,3-dihydroindene-2-carboxylate Ethyl 5-butyl-2-ethanoyl-6-[9-(oxan-2-yl)purin-6-yl]-1,3-dihydroindene-2-carboxylate
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Formula C28H34N4O4
InChI InChI=1S/C28H34N4O4/c1-4-6-9-19-12-20-14-28(18(3)33,27(34)35-5-2)15-21(20)13-22(19)24-25-26(30-16-29-24)32(17-31-25)23-10-7-8-11-36-23/h12-13,16-17,23H,4-11,14-15H2,1-3H3
InChIKey WXUYANNCXLDYII-UHFFFAOYSA-N
Molecular Weight 490.604 g/mol
SMILES c12[n](cnc2c(-c2cc3CC(C(=O)OCC)(C(=O)C)Cc3cc2CCCC)ncn1)C1OCCCC1
SPLASH splash10-0a4i-0012900000-5e347645faacd01799fd
Source of Spectrum F-69-9230-3
Wiley ID 1596030