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Benzene, 1,2-dichloro-4-(isothiocyanatomethyl)-
SpectraBase Compound ID BQ29bLBfKmH
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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 416Ks5Boql7
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