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9-[Trans-2',trans-3'-bis(benzyloxymethyl)cyclobut-1'-yl]adenine

View entire compound with spectra: 1 NMR, and 1 MS (GC)

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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4MrLX4R7lNT
Name 9-[Trans-2',trans-3'-bis(benzyloxymethyl)cyclobut-1'-yl]adenine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 429.216475127 u
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 C1=2N(C=NC2C(N)=NC=N1)[C@@]1([C@@](COCC=2C=CC=CC2)([C@](C1)(COCC1=CC=CC=C1)[H])[H])[H]