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3-(1-thiocyanatoethyl)-5-(trichloromethyl)-4H-1,2-oxazol-5-ol
SpectraBase Compound ID 8mQSWqhWMev
InChI InChI=1S/C7H7Cl3N2O2S/c1-4(15-3-11)5-2-6(13,14-12-5)7(8,9)10/h4,13H,2H2,1H3
InChIKey GTYYOFRZGSZTJU-UHFFFAOYSA-N
Mol Weight 289.56 g/mol
Molecular Formula C7H7Cl3N2O2S
Exact Mass 287.929382 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4eo980phQZR
Name 1-[5-hydroxy-5-(trichloromethyl)-4H-1,2-oxazol-3-yl]ethyl thiocyanate
Alternate Name(s) 1-[5-hydroxy-5-(trichloromethyl)-4H-isoxazol-3-yl]ethyl thiocyanate 1-[5-oxidanyl-5-(trichloromethyl)-4H-1,2-oxazol-3-yl]ethyl thiocyanate thiocyanic acid 1-[5-hydroxy-5-(trichloromethyl)-2-isoxazolin-3-yl]ethyl ester thiocyanic acid 1-[5-hydroxy-5-(trichloromethyl)-4H-isoxazol-3-yl]ethyl ester
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Formula C7H7Cl3N2O2S
InChI InChI=1S/C7H7Cl3N2O2S/c1-4(15-3-11)5-2-6(13,14-12-5)7(8,9)10/h4,13H,2H2,1H3
InChIKey GTYYOFRZGSZTJU-UHFFFAOYSA-N
Molecular Weight 289.564 g/mol
SMILES OC1(C(Cl)(Cl)Cl)CC(C(SC#N)C)=NO1
SPLASH splash10-0f89-0940000000-6b43240a8e1756bd4aa6
Source of Spectrum SO-0-1963-4
Wiley ID 878754