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1-[4,6-Di-O-acetyl-2,3-dideoxy-3-(1,2,4-triazol-1-yl).beta.,D-arabinohexopyranosyl]thymine
SpectraBase Compound ID 8ucGk6rYcIf
InChI InChI=1S/C17H21N5O7/c1-9-5-21(17(26)20-16(9)25)14-4-12(22-8-18-7-19-22)15(28-11(3)24)13(29-14)6-27-10(2)23/h5,7-8,12-15H,4,6H2,1-3H3,(H,20,25,26)
InChIKey NKYZMACATQHMJN-UHFFFAOYSA-N
Mol Weight 407.38 g/mol
Molecular Formula C17H21N5O7
Exact Mass 407.144098 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1fXU6Z1rNo
Name 1-[4,6-Di-O-acetyl-2,3-dideoxy-3-(1,2,4-triazol-1-yl).beta.,D-arabinohexopyranosyl]thymine
Alternate Name(s) 1-[4,6-Di-O-acetyl-2,3-dideoxy-3-(1,2,4-triazol-1-yl).alpha.,D-arabinohexopyranosyl]thymine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21N5O7
InChI InChI=1S/C17H21N5O7/c1-9-5-21(17(26)20-16(9)25)14-4-12(22-8-18-7-19-22)15(28-11(3)24)13(29-14)6-27-10(2)23/h5,7-8,12-15H,4,6H2,1-3H3,(H,20,25,26)
InChIKey NKYZMACATQHMJN-UHFFFAOYSA-N
Molecular Weight 407.383 g/mol
SMILES N1C(C(=CN(C1=O)C1CC([n]2ncnc2)C(C(O1)COC(=O)C)OC(=O)C)C)=O
SPLASH splash10-01ox-9750000000-6f14778211efaf39f88d
Source of Spectrum SO-0-961-6
Wiley ID 1542629