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2-CHLOROPHENOXYETHYL-THIOCYANATE
SpectraBase Compound ID DGAvGlfLi8S
InChI InChI=1S/C9H8ClNOS/c10-8-3-1-2-4-9(8)12-5-6-13-7-11/h1-4H,5-6H2
InChIKey YZMAXPYLEUUNCK-UHFFFAOYSA-N
Mol Weight 213.68 g/mol
Molecular Formula C9H8ClNOS
Exact Mass 213.001513 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9I3KKxKBcQI
Name 2-CHLOROPHENOXYETHYL-THIOCYANATE
Compound Number 38
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H8ClNOS
InChI InChI=1S/C9H8ClNOS/c10-8-3-1-2-4-9(8)12-5-6-13-7-11/h1-4H,5-6H2
InChIKey YZMAXPYLEUUNCK-UHFFFAOYSA-N
Literature Reference Author E.ELHALEM,B.N.BAILEY,R.DOCAMPO,I.UJVARY,S.H.SZAJNMAN,J.B.ROD RIGUEZ
Literature Reference Citation J.MED.CHEM.,45,3984(2002)
Literature Reference DOI 10.1021/jm0201518
Molecular Weight 213.682 g/mol
Sample ID 64954
Solvent CDCl3