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2,4-dimethoxyphenyl thiocyanate
SpectraBase Compound ID 8zD9BmCSqEc
InChI InChI=1S/C9H9NO2S/c1-11-7-3-4-9(13-6-10)8(5-7)12-2/h3-5H,1-2H3
InChIKey PCPWGUKGRYUDSQ-UHFFFAOYSA-N
Mol Weight 195.24 g/mol
Molecular Formula C9H9NO2S
Exact Mass 195.0354 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID iajnic86lD
Name 2,4-dimethoxyphenyl thiocyanate
Appearance Yellow liquid
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Exact Mass 195.035399706 u
Formula C9H9NO2S
GC Column HP-5 (30 m x 320 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 300oC
InChI InChI=1S/C9H9NO2S/c1-11-7-3-4-9(13-6-10)8(5-7)12-2/h3-5H,1-2H3
InChIKey PCPWGUKGRYUDSQ-UHFFFAOYSA-N
Instrument Name Varian Saturn 2100 T
Ionization Type EI
Literature Reference DOI 10.1002/chem.201503915
Molecular Weight 195.236 g/mol
Quality 292
Reported Formula C9H9NO2S
SMILES COC1=CC(=C(C=C1)SC#N)OC
SPLASH splash10-0002-0900000000-3e505c803ec1f68375d3
Source of Spectrum QE-21-SM8-1c (DOI: 10.1002/chem.201503915)
Wiley ID 1907331