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1-Imino-3-(4-methoxyphenyl)-1H-1.lambda.4-benzo[d][1,3,2]dithiazole 1,3-dioxide
SpectraBase Compound ID 9jshOo7fG5g
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
Mol Weight 308.37 g/mol
Molecular Formula C13H12N2O3S2
Exact Mass 308.028935 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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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