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4-PHENOXY-2-(PROP-2-EN-1-YL)-PHENOXYETHYL-THIOCYANATE
SpectraBase Compound ID GIvN3nGVyjd
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/h2-5,7-10,13H,1,6,11-12H2
InChIKey GKPZDDDFBLZPIF-UHFFFAOYSA-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 9m7ZlmLlZ60
Name 4-PHENOXY-2-(PROP-2-EN-1-YL)-PHENOXYETHYL-THIOCYANATE
Compound Number 16
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/h2-5,7-10,13H,1,6,11-12H2
InChIKey GKPZDDDFBLZPIF-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 311.398 g/mol
Sample ID 64949
Solvent CDCl3