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3-Nitrodibenzothiophene 5,5-dioxide
SpectraBase Compound ID 8yDI40I6cSE
InChI InChI=1S/C12H7NO4S/c14-13(15)8-5-6-10-9-3-1-2-4-11(9)18(16,17)12(10)7-8/h1-7H
InChIKey YPRJLDUOGDQQAK-UHFFFAOYSA-N
Mol Weight 261.25 g/mol
Molecular Formula C12H7NO4S
Exact Mass 261.009579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4PcyJnXAvkL
Name 3-Nitrodibenzothiophene 5,5-dioxide
CAS Registry Number 51762-59-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H7NO4S
InChI InChI=1S/C12H7NO4S/c14-13(15)8-5-6-10-9-3-1-2-4-11(9)18(16,17)12(10)7-8/h1-7H
InChIKey YPRJLDUOGDQQAK-UHFFFAOYSA-N
Molecular Weight 261.251 g/mol
SMILES c1ccc-2c(c1)S(c1c2ccc(c1)N(=O)=O)(=O)=O
SPLASH splash10-0wmr-9610000000-82dbcb4b3b8db0c580e5
Synonyms 3-Nitrodibenzothiophene, S,S-dioxide 3-Nitrodibenzo[b,d]thiophene 5,5-dioxide
Wiley ID 1469608