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(1E)-1-[3-(2-chlorophenyl)-1,4,2-oxathiazol-5-ylidene]urea
SpectraBase Compound ID 8VSXQUCoJ1r
InChI InChI=1S/C9H6ClN3O2S/c10-6-4-2-1-3-5(6)7-13-15-9(16-7)12-8(11)14/h1-4H,(H2,11,14)/b12-9+
InChIKey WWJOHGVWKVNVJS-FMIVXFBMSA-N
Mol Weight 255.68 g/mol
Molecular Formula C9H6ClN3O2S
Exact Mass 254.986925 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 12YDbgpUyPC
Name (1E)-1-[3-(2-chlorophenyl)-1,4,2-oxathiazol-5-ylidene]urea
Alternate Name(s) (E)-[3-(2-chlorophenyl)-1,4,2-oxathiazol-5-ylidene]urea
CAS Registry Number 86626-50-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H6ClN3O2S
InChI InChI=1S/C9H6ClN3O2S/c10-6-4-2-1-3-5(6)7-13-15-9(16-7)12-8(11)14/h1-4H,(H2,11,14)/b12-9+
InChIKey WWJOHGVWKVNVJS-FMIVXFBMSA-N
Molecular Weight 255.679 g/mol
SMILES NC(\N=C\1SC(=NO1)c1c(Cl)cccc1)=O
SPLASH splash10-0udr-0910000000-a4d1e54849236f1fb1b5
Source of Spectrum Y-20-303-2
Wiley ID 1258529