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11H-Dibenzo[b,e][1,4]dioxepin-11-one, 7-bromo-9-chloro-3-hydroxy-8-methoxy-1,6-dimethyl-
SpectraBase Compound ID 1zipX53uRNf
InChI InChI=1S/C16H12BrClO5/c1-6-4-8(19)5-9-10(6)16(20)23-15-12(18)14(21-3)11(17)7(2)13(15)22-9/h4-5,19H,1-3H3
InChIKey JJSUNEJMASDKDT-UHFFFAOYSA-N
Mol Weight 399.62 g/mol
Molecular Formula C16H12BrClO5
Exact Mass 397.955664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6RWD5OpTc89
Name 11H-Dibenzo[b,e][1,4]dioxepin-11-one, 7-bromo-9-chloro-3-hydroxy-8-methoxy-1,6-dimethyl-
CAS Registry Number 128855-57-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12BrClO5
InChI InChI=1S/C16H12BrClO5/c1-6-4-8(19)5-9-10(6)16(20)23-15-12(18)14(21-3)11(17)7(2)13(15)22-9/h4-5,19H,1-3H3
InChIKey JJSUNEJMASDKDT-UHFFFAOYSA-N
Molecular Weight 399.624 g/mol
SMILES Oc1cc2Oc3c(OC(c2c(c1)C)=O)c(c(c(Br)c3C)OC)Cl
SPLASH splash10-0gi0-0159100000-3b7bcf548c7274b501f3
Source of Spectrum B-43-424-15
Synonyms 7-Bromo-9-chloro-3-hydroxy-8-methoxy-1,6-dimethyl-11H-dibenzo[b,e][1,4]dioxepin-11-one
Wiley ID 1368157