SpectraBase Spectrum ID |
KePrRxDWOc6 |
Name |
1-Imino-3-(4-methoxyphenyl)-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 |
308.028934599 u |
Formula |
C13H12N2O3S2 |
InChI |
InChI=1S/C13H12N2O3S2/c1-18-10-6-8-11(9-7-10)19(16)12-4-2-3-5-13(12)20(14,17)15-19/h2-9,14H,1H3 |
InChIKey |
ZALRGBGWBVZCFT-UHFFFAOYSA-N |
Instrument Name |
Finnigan SSQ 7000 |
Ionization Type |
EI |
Literature Reference DOI |
10.1002/adsc.202201408 |
Molecular Weight |
308.370 g/mol |
Quality |
170 |
Reported Formula |
C13H12O3N2S2 |
SMILES |
N=S1(N=S(C2=CC=C(C=C2)OC)(C2=C1C=CC=C2)=O)=O |
SPLASH |
splash10-00fr-1921000000-c8122896a0bf15b5542d |
Sample Comments |
dr = 1.0:1.5 |
Source of Spectrum |
ASC-365-SM23-3b (DOI: 10.1002/adsc.202201408) |
Wiley ID |
1902709 |