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11H-Dibenzo[b,e][1,4]dioxepin-11-one, 7-bromo-2,4,9-trichloro-3-hydroxy-8-methoxy-1,6-dimethyl-
SpectraBase Compound ID 6MmMbnOUKbd
InChI InChI=1S/C16H10BrCl3O5/c1-4-6-13(9(19)11(21)8(4)18)24-12-5(2)7(17)14(23-3)10(20)15(12)25-16(6)22/h21H,1-3H3
InChIKey GRNKPLYLPMRGIU-UHFFFAOYSA-N
Mol Weight 468.51 g/mol
Molecular Formula C16H10BrCl3O5
Exact Mass 465.87772 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GUlXWQjcDcH
Name 11H-Dibenzo[b,e][1,4]dioxepin-11-one, 7-bromo-2,4,9-trichloro-3-hydroxy-8-methoxy-1,6-dimethyl-
CAS Registry Number 128855-58-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H10BrCl3O5
InChI InChI=1S/C16H10BrCl3O5/c1-4-6-13(9(19)11(21)8(4)18)24-12-5(2)7(17)14(23-3)10(20)15(12)25-16(6)22/h21H,1-3H3
InChIKey GRNKPLYLPMRGIU-UHFFFAOYSA-N
Molecular Weight 468.514 g/mol
SMILES Oc1c(c(c2c(Oc3c(c(Br)c(c(c3OC2=O)Cl)OC)C)c1Cl)C)Cl
SPLASH splash10-000i-0129300000-42dcaf99b7c600b49b18
Source of Spectrum B-43-425-16
Synonyms 7-Bromo-2,4,9-trichloro-3-hydroxy-8-methoxy-1,6-dimethyl-11H-dibenzo[b,e][1,4]dioxepin-11-one
Wiley ID 1391804