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thiocyanic acid, p-chlorophenacyl ester
SpectraBase Compound ID 48AWv77eDWr
InChI InChI=1S/C9H6ClNOS/c10-8-3-1-7(2-4-8)9(12)5-13-6-11/h1-4H,5H2
InChIKey JSIQRJQKMVTGJN-UHFFFAOYSA-N
Mol Weight 211.67 g/mol
Molecular Formula C9H6ClNOS
Exact Mass 210.985863 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AbiaRKGAXvv
Name 1-(4-Chlorophenyl)-2-thiocyanatoethanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H6ClNOS
InChI InChI=1S/C9H6ClNOS/c10-8-3-1-7(2-4-8)9(12)5-13-6-11/h1-4H,5H2
InChIKey JSIQRJQKMVTGJN-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200800179
Molecular Weight 211.666 g/mol
SMILES C(CSC#N)(c1ccc(cc1)Cl)=O
SPLASH splash10-000i-0900000000-a0b1559cb0ecd667b35b
Source of Spectrum QA-55-1206-3d
Synonyms 1-(4-Chlorophenyl)-2-thiocyanatoethan-1-one
Wiley ID 1796499