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Benzene, 2-(2-isothiocyanatopropyl)-1,4-dimethoxy-
SpectraBase Compound ID 59IuI6u1IJS
InChI InChI=1S/C12H15NO2S/c1-9(13-8-16)6-10-7-11(14-2)4-5-12(10)15-3/h4-5,7,9H,6H2,1-3H3
InChIKey QKRWCVGUTUWPOC-UHFFFAOYSA-N
Mol Weight 237.32 g/mol
Molecular Formula C12H15NO2S
Exact Mass 237.08235 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID RiOHl8GbEU
Name Benzene, 2-(2-isothiocyanatopropyl)-1,4-dimethoxy-
Alternate Name(s) 2-(2-Isothiocyanatopropyl)-1,4-dimethoxybenzene
CAS Registry Number 35424-99-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H15NO2S
InChI InChI=1S/C12H15NO2S/c1-9(13-8-16)6-10-7-11(14-2)4-5-12(10)15-3/h4-5,7,9H,6H2,1-3H3
InChIKey QKRWCVGUTUWPOC-UHFFFAOYSA-N
Molecular Weight 237.317 g/mol
SMILES CC(Cc1cc(ccc1OC)OC)N=C=S
SPLASH splash10-0udi-3920000000-b182e77e4135f3205001
Source of Spectrum AV-45-160-3
Wiley ID 1239407