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

*Links on SpectraBase are not permalinks.
9-(trans-2',2'-dioxoperhydrocyclopenta[c]thiin-6'-yl)-9H-adenine
SpectraBase Compound ID BbJhegIeiEx
InChI InChI=1S/C13H17N5O2S/c14-12-11-13(16-6-15-12)18(7-17-11)10-3-8-1-2-21(19,20)5-9(8)4-10/h6-10H,1-5H2,(H2,14,15,16)/t8-,9+,10?/m1/s1
InChIKey IEQCLJYXFHHZNQ-ZDGBYWQASA-N
Mol Weight 307.37 g/mol
Molecular Formula C13H17N5O2S
Exact Mass 307.110296 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 6mXrxkXnROT
Name 9-(trans-2',2'-dioxoperhydrocyclopenta[c]thiin-6'-yl)-9H-adenine
Alternate Name(s) 9-[(4aS,7aR)-2,2-dioxidooctahydrocyclopenta[c]thiopyran-6-yl]-9H-purin-6-amine 9-[(4aS,7aR)-2,2-dioxidooctahydrocyclopenta[c]thiopyran-6-yl]-9H-purin-6-ylamine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17N5O2S
InChI InChI=1S/C13H17N5O2S/c14-12-11-13(16-6-15-12)18(7-17-11)10-3-8-1-2-21(19,20)5-9(8)4-10/h6-10H,1-5H2,(H2,14,15,16)/t8-,9+,10?/m1/s1
InChIKey IEQCLJYXFHHZNQ-ZDGBYWQASA-N
Molecular Weight 307.372 g/mol
SMILES Nc1c2c([n](cn2)C2C[C@]3(CS(=O)(=O)CC[C@@]3(C2)[H])[H])ncn1
SPLASH splash10-000l-2970000000-83b612ea6b3213ba16cc
Source of Spectrum H-76-258-2
Wiley ID 1308807