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3-(4-Fluorophenyl)-1-imino-1H-1.lambda.4-benzo[d][1,3,2]dithiazole 1,3-dioxide
SpectraBase Compound ID 4NJiA9IsTS5
InChI InChI=1S/C12H9FN2O2S2/c13-9-5-7-10(8-6-9)18(16)11-3-1-2-4-12(11)19(14,17)15-18/h1-8,14H
InChIKey XAGBQKCULALGOF-UHFFFAOYSA-N
Mol Weight 296.33 g/mol
Molecular Formula C12H9FN2O2S2
Exact Mass 296.008948 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AbDlCv9L2Qy
Name 3-(4-Fluorophenyl)-1-imino-1H-1.lambda.4-benzo[d][1,3,2]dithiazole 1,3-dioxide
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 296.008948047 u
Formula C12H9FN2O2S2
InChI InChI=1S/C12H9FN2O2S2/c13-9-5-7-10(8-6-9)18(16)11-3-1-2-4-12(11)19(14,17)15-18/h1-8,14H
InChIKey XAGBQKCULALGOF-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202201408
Molecular Weight 296.334 g/mol
Quality 291
Reported Formula C12H9O2N2FS2
SMILES N=S1(N=S(C2=CC=C(C=C2)F)(C2=C1C=CC=C2)=O)=O
SPLASH splash10-0udj-9760000000-d87c5d8ec3ee03cea2aa
Sample Comments dr = 1.0:1.5
Source of Spectrum ASC-365-SM24-3c (DOI: 10.1002/adsc.202201408)
Wiley ID 1902710