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N2-Acetyl-9-[4-acetoxy-3-(acetoxymethyl)butyl]guanine

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

N2-Acetyl-9-[4-acetoxy-3-(acetoxymethyl)butyl]guanine
SpectraBase Compound ID BC3rdOkvUlQ
InChI InChI=1S/C16H21N5O6/c1-9(22)18-16-19-14-13(15(25)20-16)17-8-21(14)5-4-12(6-26-10(2)23)7-27-11(3)24/h8,12H,4-7H2,1-3H3,(H2,18,19,20,22,25)
InChIKey AUNBLDUGZCOTDR-UHFFFAOYSA-N
Mol Weight 379.37 g/mol
Molecular Formula C16H21N5O6
Exact Mass 379.149183 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID L4GeeN8dT2B
Name N2-Acetyl-9-[4-acetoxy-3-(acetoxymethyl)butyl]guanine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 379.149183410 u
Formula C16H21N5O6
InChI InChI=1S/C16H21N5O6/c1-9(22)18-16-19-14-13(15(25)20-16)17-8-21(14)5-4-12(6-26-10(2)23)7-27-11(3)24/h8,12H,4-7H2,1-3H3,(H2,18,19,20,22,25)
InChIKey AUNBLDUGZCOTDR-UHFFFAOYSA-N
Molecular Weight 379.373 g/mol
SMILES C1=NC=2C(NC(=NC2N1CCC(COC(=O)C)COC(=O)C)NC(=O)C)=O