For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(E)-4-[2-(2,3,5,6-tetrachloro-4-hydroxy-phenoxy)-1,3-benzodioxol-5-yl]but-3-en-2-one
SpectraBase Compound ID 3i3nzNLWPFj
InChI InChI=1S/C17H10Cl4O5/c1-7(22)2-3-8-4-5-9-10(6-8)25-17(24-9)26-16-13(20)11(18)15(23)12(19)14(16)21/h2-6,17,23H,1H3/b3-2+
InChIKey NLBYYUGOOWKFAW-NSCUHMNNSA-N
Mol Weight 436.1 g/mol
Molecular Formula C17H10Cl4O5
Exact Mass 433.928234 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 7j5JUiZsJWX
Name (E)-4-[2-(2,3,5,6-tetrachloro-4-hydroxy-phenoxy)-1,3-benzodioxol-5-yl]but-3-en-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H10Cl4O5
InChI InChI=1S/C17H10Cl4O5/c1-7(22)2-3-8-4-5-9-10(6-8)25-17(24-9)26-16-13(20)11(18)15(23)12(19)14(16)21/h2-6,17,23H,1H3/b3-2+
InChIKey NLBYYUGOOWKFAW-NSCUHMNNSA-N
Molecular Weight 436.074 g/mol
SMILES Oc1c(c(c(c(c1Cl)Cl)OC1Oc2cc(\C=C\C(=O)C)ccc2O1)Cl)Cl
SPLASH splash10-000i-0910000000-cba77fd211028832bd39
Source of Spectrum KC-0-2549-22
Synonyms (E)-4-[2-(2,3,5,6-tetrachloro-4-hydroxyphenoxy)-1,3-benzodioxol-5-yl]-3-buten-2-one (E)-4-[2-[2,3,5,6-tetrakis(chloranyl)-4-oxidanyl-phenoxy]-1,3-benzodioxol-5-yl]but-3-en-2-one
Wiley ID 821561