For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1-[5,6-Di-O-acetyl-2,3-dideoxy-3-(1,2,4-triazol-1-yl).alpha.,D-ribohexofuranosyl]thymine
SpectraBase Compound ID 9nYf4LmhLuB
InChI InChI=1S/C17H21N5O7/c1-9-5-21(17(26)20-16(9)25)14-4-12(22-8-18-7-19-22)15(29-14)13(28-11(3)24)6-27-10(2)23/h5,7-8,12-15H,4,6H2,1-3H3,(H,20,25,26)
InChIKey RDGMQPNVCGIUPD-UHFFFAOYSA-N
Mol Weight 407.38 g/mol
Molecular Formula C17H21N5O7
Exact Mass 407.144098 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 2PCOZ8nYBs
Name 1-[5,6-Di-O-acetyl-2,3-dideoxy-3-(1,2,4-triazol-1-yl).alpha.,D-ribohexofuranosyl]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(29-14)13(28-11(3)24)6-27-10(2)23/h5,7-8,12-15H,4,6H2,1-3H3,(H,20,25,26)
InChIKey RDGMQPNVCGIUPD-UHFFFAOYSA-N
Molecular Weight 407.383 g/mol
SMILES N1C(C(=CN(C1=O)C1OC(C(OC(=O)C)COC(=O)C)C(C1)[n]1ncnc1)C)=O
SPLASH splash10-0gvo-8910000000-a77e6924bbdd7d441352
Source of Spectrum SO-0-961-8
Wiley ID 1542627