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11H-Dibenzo[b,e][1,4]dioxepin-4-carboxaldehyde, 2,7-dichloro-3,8-dihydroxy-1,6,9-trimethyl-11-oxo-
SpectraBase Compound ID 6RMxL9a7qnS
InChI InChI=1S/C17H12Cl2O6/c1-5-9-16(8(4-20)13(22)10(5)18)24-14-6(2)11(19)12(21)7(3)15(14)25-17(9)23/h4,21-22H,1-3H3
InChIKey PNQBQYZRSVAYKB-UHFFFAOYSA-N
Mol Weight 383.18 g/mol
Molecular Formula C17H12Cl2O6
Exact Mass 382.001094 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GHXdJ60GwYW
Name 11H-Dibenzo[b,e][1,4]dioxepin-4-carboxaldehyde, 2,7-dichloro-3,8-dihydroxy-1,6,9-trimethyl-11-oxo-
CAS Registry Number 103805-89-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12Cl2O6
InChI InChI=1S/C17H12Cl2O6/c1-5-9-16(8(4-20)13(22)10(5)18)24-14-6(2)11(19)12(21)7(3)15(14)25-17(9)23/h4,21-22H,1-3H3
InChIKey PNQBQYZRSVAYKB-UHFFFAOYSA-N
Molecular Weight 383.183 g/mol
SMILES Oc1c(c2c(C(Oc3c(c(c(c(c3O2)C)Cl)O)C)=O)c(c1Cl)C)C=O
SPLASH splash10-001j-0009000000-1a917ddcc1ebb50f89d5
Source of Spectrum B-39-722-5
Synonyms 2,7-Dichloro-3,8-dihydoxy-1,6,9-trimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-4-carbaldehyde 2,7-Dichloro-3,8-dihydroxy-1,6,9-trimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-4-carbaldehyde
Wiley ID 1360389