SpectraBase Compound ID | BQ29bLBfKmH |
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InChI | InChI=1S/C8H5Cl2NS/c9-7-2-1-6(3-8(7)10)4-11-5-12/h1-3H,4H2 |
InChIKey | DPSSHXWTNIGVMQ-UHFFFAOYSA-N |
Mol Weight | 218.1 g/mol |
Molecular Formula | C8H5Cl2NS |
Exact Mass | 216.951976 g/mol |
SpectraBase Spectrum ID | 416Ks5Boql7 |
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Name | Benzene, 1,2-dichloro-4-(isothiocyanatomethyl)- |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 216.951975739 u |
Formula | C8H5Cl2NS |
InChI | InChI=1S/C8H5Cl2NS/c9-7-2-1-6(3-8(7)10)4-11-5-12/h1-3H,4H2 |
InChIKey | DPSSHXWTNIGVMQ-UHFFFAOYSA-N |
Molecular Weight | 218.101 g/mol |
SMILES | C1=C(C=C(C(=C1)Cl)Cl)CN=C=S |