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9-[trans-2',trans-3'-bis(benzyloxymethyl)cyclobut-1'-yl]adenine
SpectraBase Compound ID CxmssT6GfEE
InChI InChI=1S/C25H27N5O2/c26-24-23-25(28-16-27-24)30(17-29-23)22-11-20(14-31-12-18-7-3-1-4-8-18)21(22)15-32-13-19-9-5-2-6-10-19/h1-10,16-17,20-22H,11-15H2,(H2,26,27,28)/t20-,21+,22+/m1/s1
InChIKey ACNQNLWXKYXZCF-FSSWDIPSSA-N
Mol Weight 429.52 g/mol
Molecular Formula C25H27N5O2
Exact Mass 429.216475 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1ODWrqm5zez
Name 9-[trans-2',trans-3'-bis(benzyloxymethyl)cyclobut-1'-yl]adenine
Alternate Name(s) 9-{(1S,2S,3S)-2,3-bis[(benzyloxy)methyl]cyclobutyl}-9H-purin-6-amine 9-{(1S,2S,3S)-2,3-bis[(benzyloxy)methyl]cyclobutyl}-9H-purin-6-ylamine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H27N5O2
InChI InChI=1S/C25H27N5O2/c26-24-23-25(28-16-27-24)30(17-29-23)22-11-20(14-31-12-18-7-3-1-4-8-18)21(22)15-32-13-19-9-5-2-6-10-19/h1-10,16-17,20-22H,11-15H2,(H2,26,27,28)/t20-,21+,22+/m1/s1
InChIKey ACNQNLWXKYXZCF-FSSWDIPSSA-N
Molecular Weight 429.524 g/mol
SMILES Nc1c2c([n]([C@@]3([C@@](COCc4ccccc4)([C@](C3)(COCc3ccccc3)[H])[H])[H])cn2)ncn1
SPLASH splash10-01ox-5910000000-92ae439a909d0055ac72
Source of Spectrum F-53-5807-6
Wiley ID 801816