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Adenine, N-[4-(benzyloxy)-3-[(benzyloxy)methyl]butyl]-

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

Adenine, N-[4-(benzyloxy)-3-[(benzyloxy)methyl]butyl]-
SpectraBase Compound ID D13vpNUxSy3
InChI InChI=1S/C24H27N5O2/c1-3-7-19(8-4-1)13-30-15-21(16-31-14-20-9-5-2-6-10-20)11-12-25-23-22-24(27-17-26-22)29-18-28-23/h1-10,17-18,21H,11-16H2,(H2,25,26,27,28,29)
InChIKey PSSYQTOOJXPMQJ-UHFFFAOYSA-N
Mol Weight 417.51 g/mol
Molecular Formula C24H27N5O2
Exact Mass 417.216475 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IEkLKBnt9jr
Name Adenine, N-[4-(benzyloxy)-3-[(benzyloxy)methyl]butyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 417.216475127 u
Formula C24H27N5O2
InChI InChI=1S/C24H27N5O2/c1-3-7-19(8-4-1)13-30-15-21(16-31-14-20-9-5-2-6-10-20)11-12-25-23-22-24(27-17-26-22)29-18-28-23/h1-10,17-18,21H,11-16H2,(H2,25,26,27,28,29)
InChIKey PSSYQTOOJXPMQJ-UHFFFAOYSA-N
Molecular Weight 417.513 g/mol
SMILES C(OCC(CCNC1=C2C(=NC=N1)N=CN2)COCC=1C=CC=CC1)C1=CC=CC=C1