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ISOCYANIC ACID, P-//TRICHLOROMETHYL/THIO/PHENYL ESTER
SpectraBase Compound ID 3wu8XtrmbKx
InChI InChI=1S/C8H4Cl3NOS/c9-8(10,11)14-7-3-1-6(2-4-7)12-5-13/h1-4H
InChIKey RDDGPQWJZAULFX-UHFFFAOYSA-N
Mol Weight 268.55 g/mol
Molecular Formula C8H4Cl3NOS
Exact Mass 266.907918 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Z9nQfb50e0
Name ISOCYANIC ACID, p-[(TRICHLOROMETHYL)THIO]PHENYL ESTER
Source of Sample A. Hardt, W. Bremser BASF Ludwigshafen (1982)
CAS Registry Number 58555-12-7
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H4Cl3NOS
InChI InChI=1S/C8H4Cl3NOS/c9-8(10,11)14-7-3-1-6(2-4-7)12-5-13/h1-4H
InChIKey RDDGPQWJZAULFX-UHFFFAOYSA-N
Molecular Weight 268.55
Solvent Chloroform-d; Reference=TMS; Temperature=Ambient Spectrometer= Bruker WM-360
Synonyms ISOCYANIC ACID, P-//TRICHLOROMETHYL/THIO/PHENYL ESTER