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2-BROMOPHENOXYETHYL-THIOCYANATE
SpectraBase Compound ID 6gVfiN3I7PF
InChI InChI=1S/C9H8BrNOS/c10-8-3-1-2-4-9(8)12-5-6-13-7-11/h1-4H,5-6H2
InChIKey ZRWUDKWIDCJDLO-UHFFFAOYSA-N
Mol Weight 258.13 g/mol
Molecular Formula C9H8BrNOS
Exact Mass 256.950998 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KfrnEcs7tdn
Name 2-BROMOPHENOXYETHYL-THIOCYANATE
Compound Number 28
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C9H8BrNOS
InChI InChI=1S/C9H8BrNOS/c10-8-3-1-2-4-9(8)12-5-6-13-7-11/h1-4H,5-6H2
InChIKey ZRWUDKWIDCJDLO-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 258.133 g/mol
Sample ID 64951
Solvent CDCl3