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2-Nitrodibenzothiophene
SpectraBase Compound ID FFGKORFI7B6
InChI InChI=1S/C12H7NO2S/c14-13(15)8-5-6-12-10(7-8)9-3-1-2-4-11(9)16-12/h1-7H
InChIKey GXLYVLHWXVRVKI-UHFFFAOYSA-N
Mol Weight 229.25 g/mol
Molecular Formula C12H7NO2S
Exact Mass 229.01975 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KuKOf58J0X5
Name 2-Nitrodibenzothiophene
Alternate Name(s) 2-Nitrodibenzo[b,d]thiophene Dibenzothiophene, 2-nitro-
CAS Registry Number 6639-36-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H7NO2S
InChI InChI=1S/C12H7NO2S/c14-13(15)8-5-6-12-10(7-8)9-3-1-2-4-11(9)16-12/h1-7H
InChIKey GXLYVLHWXVRVKI-UHFFFAOYSA-N
Molecular Weight 229.253 g/mol
SMILES c1(N(=O)=O)cc2c3c(cccc3)sc2cc1
SPLASH splash10-005i-0950000000-58edbf1c2cb405daaeba
Source of Spectrum J-46-2185-0
Wiley ID 1230659