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1-Phenylbenzo[d][1,3,2]dithiazole 1-oxide
SpectraBase Compound ID AixN6nRwDB
InChI InChI=1S/C12H9NOS2/c14-16(10-6-2-1-3-7-10)12-9-5-4-8-11(12)15-13-16/h1-9H
InChIKey WQRRQDVTSGVUMS-UHFFFAOYSA-N
Mol Weight 247.33 g/mol
Molecular Formula C12H9NOS2
Exact Mass 247.012556 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Is0figz6iGF
Name 1-Phenylbenzo[d][1,3,2]dithiazole 1-oxide
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 247.012556261 u
Formula C12H9NOS2
InChI InChI=1S/C12H9NOS2/c14-16(10-6-2-1-3-7-10)12-9-5-4-8-11(12)15-13-16/h1-9H
InChIKey WQRRQDVTSGVUMS-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202201408
Molecular Weight 247.330 g/mol
Quality 299
Reported Formula C12H9ONS2
SMILES C1(=CC=CC=C1)S1(=NSC2=C1C=CC=C2)=O
SPLASH splash10-0002-1390000000-e129d8b3579e8bff8ca4
Source of Spectrum ASC-365-SM14-2a (DOI: 10.1002/adsc.202201408)
Wiley ID 1902683