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 |