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Thiocyanic acid, 5-amino-3-methyl-4-isoxazolyl ester
SpectraBase Compound ID ETfjSFLXplo
InChI InChI=1S/C5H5N3OS/c1-3-4(10-2-6)5(7)9-8-3/h7H2,1H3
InChIKey LOPRWIISVYKWFQ-UHFFFAOYSA-N
Mol Weight 155.18 g/mol
Molecular Formula C5H5N3OS
Exact Mass 155.015333 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0nZ8Dbbobw
Name Thiocyanic acid, 5-amino-3-methyl-4-isoxazolyl ester
Alternate Name(s) thiocyanic acid (5-amino-3-methyl-4-isoxazolyl) ester (5-amino-3-methyl-1,2-oxazol-4-yl) thiocyanate (5-amino-3-methyl-isoxazol-4-yl) thiocyanate (5-azanyl-3-methyl-1,2-oxazol-4-yl) thiocyanate
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Formula C5H5N3OS
InChI InChI=1S/C5H5N3OS/c1-3-4(10-2-6)5(7)9-8-3/h7H2,1H3
InChIKey LOPRWIISVYKWFQ-UHFFFAOYSA-N
Molecular Weight 155.175 g/mol
SMILES Nc1c(SC#N)c(C)no1
SPLASH splash10-0006-9100000000-173db8aab6e8c41c7e7f
Source of Spectrum IY-2-4888-2
Wiley ID 1656639