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2-NITRODIBENZO-[B,D]-THIOPHENE-5,5-DIOXIDE
SpectraBase Compound ID 80S9wMdfwsG
InChI InChI=1S/C12H7NO4S/c14-13(15)8-5-6-12-10(7-8)9-3-1-2-4-11(9)18(12,16)17/h1-7H
InChIKey RKNBFSKANRFUQQ-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 KukjPhtgxgD
Name 2-Nitrodibenzothiophene 5,5-dioxide
CAS Registry Number 72469-59-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H7NO4S
InChI InChI=1S/C12H7NO4S/c14-13(15)8-5-6-12-10(7-8)9-3-1-2-4-11(9)18(12,16)17/h1-7H
InChIKey RKNBFSKANRFUQQ-UHFFFAOYSA-N
Molecular Weight 261.251 g/mol
SMILES c1ccc2c(c1)-c1cc(ccc1S2(=O)=O)N(=O)=O
SPLASH splash10-0j4r-0950000000-a5617e9401f0787ab37c
Source of Spectrum J-46-2185-0
Synonyms 2-Nitrodibenzo[b,d]thiophene 5,5-dioxide
Wiley ID 1264576