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(threo)-(2-Hydroxy-1-methyl-3-tosyl)propyl Thiocyanate
SpectraBase Compound ID AIkcAWsCRLL
InChI InChI=1S/C12H15NO3S2/c1-9-3-5-11(6-4-9)18(15,16)7-12(14)10(2)17-8-13/h3-6,10,12,14H,7H2,1-2H3
InChIKey DNZJRCMZARARIO-UHFFFAOYSA-N
Mol Weight 285.38 g/mol
Molecular Formula C12H15NO3S2
Exact Mass 285.049336 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FZGhiSOs5nL
Name (threo)-(2-Hydroxy-1-methyl-3-tosyl)propyl Thiocyanate
Alternate Name(s) 2-Hydroxy-1-methyl-3-[(4-methylphenyl)sulfonyl]propyl thiocyanate
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Formula C12H15NO3S2
InChI InChI=1S/C12H15NO3S2/c1-9-3-5-11(6-4-9)18(15,16)7-12(14)10(2)17-8-13/h3-6,10,12,14H,7H2,1-2H3
InChIKey DNZJRCMZARARIO-UHFFFAOYSA-N
Molecular Weight 285.376 g/mol
SMILES OC(CS(c1ccc(cc1)C)(=O)=O)C(SC#N)C
SPLASH splash10-052g-8900000000-aafea0e42ba678750729
Source of Spectrum F-47-5199-2
Wiley ID 1288734