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3-Hydroxy-2-nitro-9H-thioxanth-9-one
SpectraBase Compound ID 5JidyF78LbB
InChI InChI=1S/C13H7NO4S/c15-10-6-12-8(5-9(10)14(17)18)13(16)7-3-1-2-4-11(7)19-12/h1-6,15H
InChIKey VLCZCXJHWDVFBF-UHFFFAOYSA-N
Mol Weight 273.26 g/mol
Molecular Formula C13H7NO4S
Exact Mass 273.009579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EEU9WzK8515
Name 3-Hydroxy-2-nitro-9H-thioxanth-9-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H7NO4S
InChI InChI=1S/C13H7NO4S/c15-10-6-12-8(5-9(10)14(17)18)13(16)7-3-1-2-4-11(7)19-12/h1-6,15H
InChIKey VLCZCXJHWDVFBF-UHFFFAOYSA-N
Literature Reference DOI 10.1002/anie.201310997
Molecular Weight 273.262 g/mol
SMILES Oc1cc2c(cc1[N+](=O)[O-])C(c1ccccc1S2)=O
SPLASH splash10-00di-0490000000-5814f3c8b8eae43b910a
Source of Spectrum ACI-53-SMS6-4
Synonyms 3-Hydroxy-2-nitro-9H-thioxanthen-9-one
Wiley ID 1782216