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2-[E-(PROP-1-EN-1-YL)]-4-PHENOXYPHENOXYETHYL-THIOCYANATE
SpectraBase Compound ID 1OVv2ZTkvdC
InChI InChI=1S/C18H17NO2S/c1-2-6-15-13-17(21-16-7-4-3-5-8-16)9-10-18(15)20-11-12-22-14-19/h2-10,13H,11-12H2,1H3/b6-2+
InChIKey GLVDERWDPMKHQK-QHHAFSJGSA-N
Mol Weight 311.4 g/mol
Molecular Formula C18H17NO2S
Exact Mass 311.098 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GB5d2nyJyK4
Name 2-[E-(PROP-1-EN-1-YL)]-4-PHENOXYPHENOXYETHYL-THIOCYANATE
Compound Number 11
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H17NO2S
InChI InChI=1S/C18H17NO2S/c1-2-6-15-13-17(21-16-7-4-3-5-8-16)9-10-18(15)20-11-12-22-14-19/h2-10,13H,11-12H2,1H3/b6-2+
InChIKey GLVDERWDPMKHQK-QHHAFSJGSA-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 311.398 g/mol
Sample ID 64948
Solvent CDCl3