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{[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]imino}(methyl)(phenyl)-.lambda.6-sulfanone
SpectraBase Compound ID EC9psDm483P
InChI InChI=1S/C15H12ClN3O2S/c1-22(20,13-5-3-2-4-6-13)19-15-17-14(18-21-15)11-7-9-12(16)10-8-11/h2-10H,1H3
InChIKey XFYOUEPMCAVPMG-UHFFFAOYSA-N
Mol Weight 333.79 g/mol
Molecular Formula C15H12ClN3O2S
Exact Mass 333.033876 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9vpSUAbeb55
Name {[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]imino}(methyl)(phenyl)-.lambda.6-sulfanone
Appearance Colorless solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H12ClN3O2S
InChI InChI=1S/C15H12ClN3O2S/c1-22(20,13-5-3-2-4-6-13)19-15-17-14(18-21-15)11-7-9-12(16)10-8-11/h2-10H,1H3
InChIKey XFYOUEPMCAVPMG-UHFFFAOYSA-N
Instrument Name Finnigan SSQ 7000
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202000335
Molecular Weight 333.793 g/mol
Reported Formula C15H12O2N3ClS
SMILES CS(c1ccccc1)(=Nc1onc(-c2ccc(cc2)Cl)n1)=O
SPLASH splash10-003r-2968000000-d1b83bf6aea3e303cd1f
Source of Spectrum U1-2020-SM11-9m
Wiley ID 1860544