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2,6-DICHLORO-4-(3-CHLORO-PROP-2-YNYLOXY)-PHENYL-3-[5-(TRIFLUOROMETHYL)-2-PYRIDYLOXY]-PROPYLETHER;S-1812-DH
SpectraBase Compound ID CyARUDCoV3n
InChI InChI=1S/C18H13Cl3F3NO3/c19-5-1-6-26-13-9-14(20)17(15(21)10-13)28-8-2-7-27-16-4-3-12(11-25-16)18(22,23)24/h3-4,9-11H,2,6-8H2
InChIKey WDRJWRSQZSGPEZ-UHFFFAOYSA-N
Mol Weight 454.66 g/mol
Molecular Formula C18H13Cl3F3NO3
Exact Mass 452.991311 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GQNOygTUGTo
Name 2,6-DICHLORO-4-(3-CHLORO-PROP-2-YNYLOXY)-PHENYL-3-[5-(TRIFLUOROMETHYL)-2-PYRIDYLOXY]-PROPYLETHER;S-1812-DH
Compound Number M1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H13Cl3F3NO3
InChI InChI=1S/C18H13Cl3F3NO3/c19-5-1-6-26-13-9-14(20)17(15(21)10-13)28-8-2-7-27-16-4-3-12(11-25-16)18(22,23)24/h3-4,9-11H,2,6-8H2
InChIKey WDRJWRSQZSGPEZ-UHFFFAOYSA-N
Literature Reference Author H.NAGAHORI,Y.TOMIGAHARA,N.ISOBE,H.KANEKO
Literature Reference Citation J.AGR.FOOD.CHEM.,57,10845(2009)
Literature Reference DOI 10.1021/jf9026469
Molecular Weight 454.660 g/mol
Sample ID 68236
Solvent CD3OD