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9-[2,3-Anhydro-5-O-(N-benzylcarbamoyl)-.beta.-D-arabinofuranosyl]adenine
SpectraBase Compound ID Ch9xm7NwxyS
InChI InChI=1S/C18H18N6O4/c19-15-12-16(22-8-21-15)24(9-23-12)17-14-13(28-14)11(27-17)7-26-18(25)20-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17H,6-7H2,(H,20,25)(H2,19,21,22)/t11-,13-,14+,17-/m1/s1
InChIKey BXFFRMIPUPDPQO-MBMVNNNZSA-N
Mol Weight 382.38 g/mol
Molecular Formula C18H18N6O4
Exact Mass 382.138953 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 91QWyAihVFu
Name 9-[2,3-Anhydro-5-O-(N-benzylcarbamoyl)-.beta.-D-arabinofuranosyl]adenine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18N6O4
InChI InChI=1S/C18H18N6O4/c19-15-12-16(22-8-21-15)24(9-23-12)17-14-13(28-14)11(27-17)7-26-18(25)20-6-10-4-2-1-3-5-10/h1-5,8-9,11,13-14,17H,6-7H2,(H,20,25)(H2,19,21,22)/t11-,13-,14+,17-/m1/s1
InChIKey BXFFRMIPUPDPQO-MBMVNNNZSA-N
Molecular Weight 382.380 g/mol
SMILES Nc1c2c([n]([C@]3([C@@]4([C@@]([C@@](COC(NCc5ccccc5)=O)(O3)[H])(O4)[H])[H])[H])cn2)ncn1
SPLASH splash10-0006-9000000000-f111b12d445d2d5478fa
Source of Spectrum J-61-6986-24
Synonyms [(1R,2R,4R,5S)-4-(6-amino-9H-purin-9-yl)-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methyl N-benzylcarbamate
Wiley ID 1360423