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3,7-Dinitro-4-oxidanidyl-thieno[3,2-b]pyridin-4-ium

View entire compound with spectra: 1 MS (GC)

3,7-Dinitro-4-oxidanidyl-thieno[3,2-b]pyridin-4-ium
SpectraBase Compound ID EFt3tBugYBM
InChI InChI=1S/C7H3N3O5S/c11-8-2-1-4(9(12)13)7-6(8)5(3-16-7)10(14)15/h1-3H
InChIKey RLEWXSKPYFHGOP-UHFFFAOYSA-N
Mol Weight 241.18 g/mol
Molecular Formula C7H3N3O5S
Exact Mass 240.979341 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EMIj8zwaqNB
Name 3,7-Dinitro-4-oxidanidyl-thieno[3,2-b]pyridin-4-ium
CAS Registry Number 126940-51-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H3N3O5S
InChI InChI=1S/C7H3N3O5S/c11-8-2-1-4(9(12)13)7-6(8)5(3-16-7)10(14)15/h1-3H
InChIKey RLEWXSKPYFHGOP-UHFFFAOYSA-N
Molecular Weight 241.177 g/mol
SMILES c12c(N(=O)=O)csc2c(N(=O)=O)cc[n+]1[O-]
SPLASH splash10-002f-0390000000-802114f2b3c96083114b
Source of Spectrum Y-26-1280-1
Synonyms 3,7-Dinitro-4-oxido-thieno[3,2-b]pyridin-4-ium
Wiley ID 1243739