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11H-Dibenzo[b,e][1,4]dioxepin-6-carboxaldehyde, 2,7-dichloro-3-hydroxy-8-methoxy-1,4,9-trimethyl-11-oxo-
SpectraBase Compound ID HouoY0rHCJe
InChI InChI=1S/C18H14Cl2O6/c1-6-10-14(7(2)13(22)11(6)19)25-17-9(5-21)12(20)15(24-4)8(3)16(17)26-18(10)23/h5,22H,1-4H3
InChIKey LQJWIBZWOALGCL-UHFFFAOYSA-N
Mol Weight 397.21 g/mol
Molecular Formula C18H14Cl2O6
Exact Mass 396.016744 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B1xrUVqOldo
Name 11H-Dibenzo[b,e][1,4]dioxepin-6-carboxaldehyde, 2,7-dichloro-3-hydroxy-8-methoxy-1,4,9-trimethyl-11-oxo-
Alternate Name(s) 2,7-Dichloro-3-hydroxy-8-methoxy-1,4,9-trimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-6-carbaldehyde Allorhizin
CAS Registry Number 84592-16-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14Cl2O6
InChI InChI=1S/C18H14Cl2O6/c1-6-10-14(7(2)13(22)11(6)19)25-17-9(5-21)12(20)15(24-4)8(3)16(17)26-18(10)23/h5,22H,1-4H3
InChIKey LQJWIBZWOALGCL-UHFFFAOYSA-N
Molecular Weight 397.210 g/mol
SMILES Oc1c(c(c2c(Oc3c(c(Cl)c(c(c3OC2=O)C)OC)C=O)c1C)C)Cl
SPLASH splash10-03dj-0109000000-12a8e51a51d3eb0869e1
Source of Spectrum B-35-2330-0
Wiley ID 1367272