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11H-Dibenzo[b,e][1,4]dioxepin-11-one, 2,4,9-trichloro-3-hydroxy-8-methoxy-1,6-dimethyl-
SpectraBase Compound ID IdIhjsX7CM7
InChI InChI=1S/C16H11Cl3O5/c1-5-4-7(22-3)10(18)15-13(5)23-14-8(16(21)24-15)6(2)9(17)12(20)11(14)19/h4,20H,1-3H3
InChIKey NZLYMUCKILYEEO-UHFFFAOYSA-N
Mol Weight 389.62 g/mol
Molecular Formula C16H11Cl3O5
Exact Mass 387.967207 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID lKm70dfHuZ
Name 11H-Dibenzo[b,e][1,4]dioxepin-11-one, 2,4,9-trichloro-3-hydroxy-8-methoxy-1,6-dimethyl-
Alternate Name(s) 2,4,9-Trichloro-3-hydroxy-8-methoxy-1,6-dimethyl-11H-dibenzo[b,e][1,4]dioxepin-11-one
CAS Registry Number 78135-62-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H11Cl3O5
InChI InChI=1S/C16H11Cl3O5/c1-5-4-7(22-3)10(18)15-13(5)23-14-8(16(21)24-15)6(2)9(17)12(20)11(14)19/h4,20H,1-3H3
InChIKey NZLYMUCKILYEEO-UHFFFAOYSA-N
Molecular Weight 389.618 g/mol
SMILES Oc1c(c(c2c(Oc3c(cc(c(c3OC2=O)Cl)OC)C)c1Cl)C)Cl
SPLASH splash10-0udi-0119000000-8cf67b3eb336e746289b
Source of Spectrum B-43-425-4
Wiley ID 1363598