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11H-Dibenzo[b,e][1,4]dioxepin-11-one, 2,4,7-trichloro-3-hydroxy-8-methoxy-1,9-dimethyl-6-(1-methylpropyl)-, (.+-.)-
SpectraBase Compound ID 35iGDpYkxWW
InChI InChI=1S/C20H19Cl3O5/c1-6-7(2)10-13(22)16(26-5)9(4)17-19(10)27-18-11(20(25)28-17)8(3)12(21)15(24)14(18)23/h7,24H,6H2,1-5H3
InChIKey UGFFCMALUFFHEX-UHFFFAOYSA-N
Mol Weight 445.73 g/mol
Molecular Formula C20H19Cl3O5
Exact Mass 444.029807 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DMksvRFGF3u
Name 11H-Dibenzo[b,e][1,4]dioxepin-11-one, 2,4,7-trichloro-3-hydroxy-8-methoxy-1,9-dimethyl-6-(1-methylpropyl)-, (.+-.)-
CAS Registry Number 78023-53-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H19Cl3O5
InChI InChI=1S/C20H19Cl3O5/c1-6-7(2)10-13(22)16(26-5)9(4)17-19(10)27-18-11(20(25)28-17)8(3)12(21)15(24)14(18)23/h7,24H,6H2,1-5H3
InChIKey UGFFCMALUFFHEX-UHFFFAOYSA-N
Molecular Weight 445.726 g/mol
SMILES Oc1c(c(c2c(Oc3c(c(Cl)c(c(c3OC2=O)C)OC)C(CC)C)c1Cl)C)Cl
SPLASH splash10-08fr-0001900000-843379c97c090cb3ed2b
Source of Spectrum KC-1981-876-0
Synonyms 3,4,7-Trichloro-3-hydroxy-8-methoxy-1,9-dimethyl-6-S-butyldibenzo[b,e][1,4]dioxepin-11-one 6-sec-butyl-2,4,7-trichloro-3-hydroxy-8-methoxy-1,9-dimethyl-11H-dibenzo[b,e][1,4]dioxepin-11-one Dihydronidulin
Wiley ID 1385882