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2-Cyano-4,5-dimethoxyphenyl isothiocyanate
SpectraBase Compound ID DUUqD5hs2vw
InChI InChI=1S/C10H8N2O2S/c1-13-9-3-7(5-11)8(12-6-15)4-10(9)14-2/h3-4H,1-2H3
InChIKey AFGXCIJBGLMDKI-UHFFFAOYSA-N
Mol Weight 220.25 g/mol
Molecular Formula C10H8N2O2S
Exact Mass 220.030649 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2S5DUThBZNE
Name 2-Cyano-4,5-dimethoxyphenyl isothiocyanate
CAS Registry Number 43091-89-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H8N2O2S
InChI InChI=1S/C10H8N2O2S/c1-13-9-3-7(5-11)8(12-6-15)4-10(9)14-2/h3-4H,1-2H3
InChIKey AFGXCIJBGLMDKI-UHFFFAOYSA-N
Molecular Weight 220.246 g/mol
SMILES c1(c(cc(c(c1)OC)OC)N=C=S)C#N
SPLASH splash10-05fr-0290000000-d1f9d33d5c7a2b9a54bb
Source of Spectrum Y-17-798-0
Synonyms 2-isothiocyanato-4,5-dimethoxy-benzenecarbonitrile 2-isothiocyanato-4,5-dimethoxy-benzonitrile
Wiley ID 1219401