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thiocyanic acid, 4-hydroxy-3,5-xylyl ester
SpectraBase Compound ID KGhzQGBmTgs
InChI InChI=1S/C9H9NOS/c1-6-3-8(12-5-10)4-7(2)9(6)11/h3-4,11H,1-2H3
InChIKey FAIBIGSVWBOKCX-UHFFFAOYSA-N
Mol Weight 179.24 g/mol
Molecular Formula C9H9NOS
Exact Mass 179.040485 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6exVhl6N5AK
Name 2,6-Dimethyl-4-thiocyanatophenol
Alternate Name(s) thiocyanic acid (4-hydroxy-3,5-dimethylphenyl) ester (4-hydroxy-3,5-dimethylphenyl) thiocyanate (4-hydroxy-3,5-dimethyl-phenyl) thiocyanate (3,5-dimethyl-4-oxidanyl-phenyl) thiocyanate
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Formula C9H9NOS
InChI InChI=1S/C9H9NOS/c1-6-3-8(12-5-10)4-7(2)9(6)11/h3-4,11H,1-2H3
InChIKey FAIBIGSVWBOKCX-UHFFFAOYSA-N
Molecular Weight 179.237 g/mol
SMILES Oc1c(C)cc(SC#N)cc1C
SPLASH splash10-004i-2900000000-3de4bcffa07f88860b6f
Source of Spectrum JX-2012-793
Wiley ID 1661239