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Methyl cis-3-[6'-(dibenzoylamino)-9'H-purin-9'-yl]cyclopentaneacetate
SpectraBase Compound ID DjNIkNc2pZw
InChI InChI=1S/C27H25N5O4/c1-36-22(33)15-18-12-13-21(14-18)31-17-30-23-24(31)28-16-29-25(23)32(26(34)19-8-4-2-5-9-19)27(35)20-10-6-3-7-11-20/h2-11,16-18,21H,12-15H2,1H3/t18-,21+/m1/s1
InChIKey ITGHCHBXQSXOPK-NQIIRXRSSA-N
Mol Weight 483.53 g/mol
Molecular Formula C27H25N5O4
Exact Mass 483.190654 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fcey95XsgZu
Name Methyl cis-3-[6'-(dibenzoylamino)-9'H-purin-9'-yl]cyclopentaneacetate
Alternate Name(s) Methyl {(1R,3S)-3-[6-(dibenzoylamino)-9H-purin-9-yl]cyclopentyl}acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H25N5O4
InChI InChI=1S/C27H25N5O4/c1-36-22(33)15-18-12-13-21(14-18)31-17-30-23-24(31)28-16-29-25(23)32(26(34)19-8-4-2-5-9-19)27(35)20-10-6-3-7-11-20/h2-11,16-18,21H,12-15H2,1H3/t18-,21+/m1/s1
InChIKey ITGHCHBXQSXOPK-NQIIRXRSSA-N
Molecular Weight 483.528 g/mol
SMILES c1(N(C(=O)c2ccccc2)C(=O)c2ccccc2)c2c([n]([C@@]3(C[C@](CC(=O)OC)(CC3)[H])[H])cn2)ncn1
SPLASH splash10-0a6r-4902000000-eabb671ab526442f03db
Source of Spectrum H-75-1953-24
Wiley ID 1395837