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2-(Phenylsulfonyl)-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3(2H)-one
SpectraBase Compound ID 9ThoOAfQZso
InChI InChI=1S/C12H12N2O3S2/c15-12-10-8-18-7-6-11(10)13-14(12)19(16,17)9-4-2-1-3-5-9/h1-5,13H,6-8H2
InChIKey ROBKUUPLNQEGDY-UHFFFAOYSA-N
Mol Weight 296.36 g/mol
Molecular Formula C12H12N2O3S2
Exact Mass 296.028935 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K3EAU5uCXxt
Name 2-(Phenylsulfonyl)-1,4,6,7-tetrahydrothiopyrano[4,3-c]pyrazol-3(2H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12N2O3S2
InChI InChI=1S/C12H12N2O3S2/c15-12-10-8-18-7-6-11(10)13-14(12)19(16,17)9-4-2-1-3-5-9/h1-5,13H,6-8H2
InChIKey ROBKUUPLNQEGDY-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.201800276
Molecular Weight 296.359 g/mol
SMILES N1C2=C(C(N1S(c1ccccc1)(=O)=O)=O)CSCC2
SPLASH splash10-0a4i-9810000000-1f7d7cc218a909631f3f
Source of Spectrum QA-66-SM14-18d
Wiley ID 1819632