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(E/Z)-9-(2,3-O-Isopropylidene-.beta.-D-ribo-pentodialdo-1,4-furanosyl)adenine O-Benzyloxime
SpectraBase Compound ID LADUcYvGFML
InChI InChI=1S/C20H22N6O4/c1-20(2)29-15-13(8-25-27-9-12-6-4-3-5-7-12)28-19(16(15)30-20)26-11-24-14-17(21)22-10-23-18(14)26/h3-8,10-11,13,15-16,19H,9H2,1-2H3,(H2,21,22,23)
InChIKey MPVUXRVJBSEGFJ-UHFFFAOYSA-N
Mol Weight 410.43 g/mol
Molecular Formula C20H22N6O4
Exact Mass 410.170253 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3DnyuJF8FyD
Name (E/Z)-9-(2,3-O-Isopropylidene-.beta.-D-ribo-pentodialdo-1,4-furanosyl)adenine O-Benzyloxime
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H22N6O4
InChI InChI=1S/C20H22N6O4/c1-20(2)29-15-13(8-25-27-9-12-6-4-3-5-7-12)28-19(16(15)30-20)26-11-24-14-17(21)22-10-23-18(14)26/h3-8,10-11,13,15-16,19H,9H2,1-2H3,(H2,21,22,23)
InChIKey MPVUXRVJBSEGFJ-UHFFFAOYSA-N
Molecular Weight 410.434 g/mol
SMILES Nc1c2c([n](C3C4C(OC(O4)(C)C)C(O3)C=NOCc3ccccc3)cn2)ncn1
SPLASH splash10-01p9-0090500000-8e9c95048e7312830cf8
Source of Spectrum E1-40-1614-4
Wiley ID 1599289