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[3,4-diacetoxy-5-(2,6-dichloropurin-9-yl)tetrahydrofuran-2-yl]methyl acetate
SpectraBase Compound ID BXRFJBLqp59
InChI InChI=1S/C16H16Cl2N4O7/c1-6(23)26-4-9-11(27-7(2)24)12(28-8(3)25)15(29-9)22-5-19-10-13(17)20-16(18)21-14(10)22/h5,9,11-12,15H,4H2,1-3H3
InChIKey PYXZXWLFAMZVPY-UHFFFAOYSA-N
Mol Weight 447.23 g/mol
Molecular Formula C16H16Cl2N4O7
Exact Mass 446.039604 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Io3u1uNd8MB
Name [3,4-diacetoxy-5-(2,6-dichloropurin-9-yl)tetrahydrofuran-2-yl]methyl acetate
CAS Registry Number 3056-18-6
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16Cl2N4O7
InChI InChI=1S/C16H16Cl2N4O7/c1-6(23)26-4-9-11(27-7(2)24)12(28-8(3)25)15(29-9)22-5-19-10-13(17)20-16(18)21-14(10)22/h5,9,11-12,15H,4H2,1-3H3
InChIKey PYXZXWLFAMZVPY-UHFFFAOYSA-N
Molecular Weight 447.231 g/mol
SMILES C(C1OC(C(OC(C)=O)C1OC(C)=O)[n]1c2c(c(Cl)nc(n2)Cl)nc1)OC(C)=O
SPLASH splash10-0a4i-0090000000-92c91b26e8e2ea62689c
Source of Spectrum I-59-2605-0
Synonyms [3,4-diacetyloxy-5-(2,6-dichloropurin-9-yl)oxolan-2-yl]methyl acetate [3,4-diacetyloxy-5-[2,6-bis(chloranyl)purin-9-yl]oxolan-2-yl]methyl ethanoate acetic acid [3,4-diacetyloxy-5-(2,6-dichloro-9-purinyl)-2-oxolanyl]methyl ester NSC 76763
Wiley ID 1386453