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3-(thiocyanatomethyl)-5-(trichloromethyl)-4H-1,2-oxazol-5-ol
SpectraBase Compound ID DFcwTLAMcOM
InChI InChI=1S/C6H5Cl3N2O2S/c7-6(8,9)5(12)1-4(11-13-5)2-14-3-10/h12H,1-2H2
InChIKey AQOKRVSSOGKLGO-UHFFFAOYSA-N
Mol Weight 275.54 g/mol
Molecular Formula C6H5Cl3N2O2S
Exact Mass 273.913732 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K64EvQmnOO4
Name [5-hydroxy-5-(trichloromethyl)-4H-1,2-oxazol-3-yl]methyl thiocyanate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H5Cl3N2O2S
InChI InChI=1S/C6H5Cl3N2O2S/c7-6(8,9)5(12)1-4(11-13-5)2-14-3-10/h12H,1-2H2
InChIKey AQOKRVSSOGKLGO-UHFFFAOYSA-N
Molecular Weight 275.537 g/mol
SMILES OC1(C(Cl)(Cl)Cl)ON=C(C1)CSC#N
SPLASH splash10-066r-0490000000-0842ee3d291b0d4aaab2
Source of Spectrum SO-0-1963-3
Synonyms [5-hydroxy-5-(trichloromethyl)-4H-isoxazol-3-yl]methyl thiocyanate [5-oxidanyl-5-(trichloromethyl)-4H-1,2-oxazol-3-yl]methyl thiocyanate thiocyanic acid [5-hydroxy-5-(trichloromethyl)-4H-isoxazol-3-yl]methyl ester
Wiley ID 878755