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4-O-METHYLDECHLORODIPLOICIN
SpectraBase Compound ID 3d8DXdCy7Ah
InChI InChI=1S/C17H13Cl3O5/c1-6-10-8(5-9(22-3)11(6)18)24-14-7(2)12(19)15(23-4)13(20)16(14)25-17(10)21/h5H,1-4H3
InChIKey HEZSUFJPGFDKIG-UHFFFAOYSA-N
Mol Weight 403.65 g/mol
Molecular Formula C17H13Cl3O5
Exact Mass 401.982857 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4WpNQJUy3Rw
Name 11H-Dibenzo[b,e][1,4]dioxepin-11-one, 2,7,9-trichloro-3,8-dimethoxy-1,6-dimethyl-
Alternate Name(s) 2,7,9-trichloro-3,8-dimethoxy-1,6-dimethyl-11H-dibenzo[b,e][1,4]dioxepin-11-one 2,7,9-Trichloro-3,8-dimethoxy-1,6-dimethyldibenzo[b,e][1,4]dioxepin-11-one Dechloro-O-methyldiploicin
CAS Registry Number 69709-93-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13Cl3O5
InChI InChI=1S/C17H13Cl3O5/c1-6-10-8(5-9(22-3)11(6)18)24-14-7(2)12(19)15(23-4)13(20)16(14)25-17(10)21/h5H,1-4H3
InChIKey HEZSUFJPGFDKIG-UHFFFAOYSA-N
Molecular Weight 403.645 g/mol
SMILES c12c(Oc3cc(OC)c(c(c3C(O2)=O)C)Cl)c(C)c(c(c1Cl)OC)Cl
SPLASH splash10-014i-0009200000-b5a303c572f653ab766d
Source of Spectrum KC-1981-852-0
Wiley ID 1370185