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1-Chloranyl-2-[2-(4-chlorophenyl)ethynyl]benzene
SpectraBase Compound ID 8Edzd35G2ql
InChI InChI=1S/C14H8Cl2/c15-13-9-6-11(7-10-13)5-8-12-3-1-2-4-14(12)16/h1-4,6-7,9-10H
InChIKey VBUQGONSTZHQRW-UHFFFAOYSA-N
Mol Weight 247.12 g/mol
Molecular Formula C14H8Cl2
Exact Mass 246.000306 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HNwAu1W7DOn
Name 1-Chloranyl-2-[2-(4-chlorophenyl)ethynyl]benzene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 246.000305658 u
Formula C14H8Cl2
InChI InChI=1S/C14H8Cl2/c15-13-9-6-11(7-10-13)5-8-12-3-1-2-4-14(12)16/h1-4,6-7,9-10H
InChIKey VBUQGONSTZHQRW-UHFFFAOYSA-N
Molecular Weight 247.124 g/mol
SMILES C(#CC1=CC=C(Cl)C=C1)C1=C(Cl)C=CC=C1