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3-Methylnaphtho[2,3-d]isothiazole-4,9-dione
SpectraBase Compound ID LUgj4aPY6iG
InChI InChI=1S/C12H7NO2S/c1-6-9-10(14)7-4-2-3-5-8(7)11(15)12(9)16-13-6/h2-5H,1H3
InChIKey YFNKPMXPQUORLX-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 8SeFp0mw6Q0
Name 3-Methylnaphtho[2,3-d]isothiazole-4,9-dione
Appearance Pale yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H7NO2S
InChI InChI=1S/C12H7NO2S/c1-6-9-10(14)7-4-2-3-5-8(7)11(15)12(9)16-13-6/h2-5H,1H3
InChIKey YFNKPMXPQUORLX-UHFFFAOYSA-N
Instrument Name Kratos MS902/MS50TC
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.p008.052
Molecular Weight 229.253 g/mol
SMILES Cc1nsc2c1C(c1c(C2=O)cccc1)=O
SPLASH splash10-0fb9-0960000000-95dd2a46b41fdfaf9b2f
Source of Spectrum ARK-2013-383-17c
Wiley ID 1853499