![11H-Dibenzo[b,e][1,4]dioxepin-11-one, 2,7,9-trichloro-3-hydroxy-8-methoxy-1,6-dimethyl-](/api/spectrum/GesHDATaft6/structure.png?h=300&w=458 "11H-Dibenzo[b,e][1,4]dioxepin-11-one, 2,7,9-trichloro-3-hydroxy-8-methoxy-1,6-dimethyl-")
| SpectraBase Compound ID | 1JQUoiEzkq |
|---|---|
| InChI | InChI=1S/C16H11Cl3O5/c1-5-9-8(4-7(20)10(5)17)23-13-6(2)11(18)14(22-3)12(19)15(13)24-16(9)21/h4,20H,1-3H3 |
| InChIKey | LSRZUHYIVQJJRO-UHFFFAOYSA-N |
| Mol Weight | 389.62 g/mol |
| Molecular Formula | C16H11Cl3O5 |
| Exact Mass | 387.967207 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GesHDATaft6 |
|---|---|
| Name | 11H-Dibenzo[b,e][1,4]dioxepin-11-one, 2,7,9-trichloro-3-hydroxy-8-methoxy-1,6-dimethyl- |
| Alternate Name(s) | 2,7,9-trichloro-3-hydroxy-8-methoxy-1,6-dimethyl-11H-dibenzo[b,e][1,4]dioxepin-11-one 2,7,9-Trichloro-3-hydroxy-8-methoxy-1,6-dimethyldibenzo[b,e][1,4]dioxepin-11-one Dechlorodiploicin Diploicin, dechloro- 2,4,8-trichloro-9-hydroxy-3-methoxy-1,7-dimethyl-6-benzo[b][1,4]benzodioxepinone 2,4,8-trichloro-9-hydroxy-3-methoxy-1,7-dimethylbenzo[b][1,4]benzodioxepin-6-one 2,4,8-tris(chloranyl)-3-methoxy-1,7-dimethyl-9-oxidanyl-benzo[b][1,4]benzodioxepin-6-one |
| CAS Registry Number | 69709-90-6 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H11Cl3O5 |
| InChI | InChI=1S/C16H11Cl3O5/c1-5-9-8(4-7(20)10(5)17)23-13-6(2)11(18)14(22-3)12(19)15(13)24-16(9)21/h4,20H,1-3H3 |
| InChIKey | LSRZUHYIVQJJRO-UHFFFAOYSA-N |
| Molecular Weight | 389.618 g/mol |
| SMILES | Oc1cc2Oc3c(OC(c2c(c1Cl)C)=O)c(c(c(Cl)c3C)OC)Cl |
| SPLASH | splash10-0pb9-0009000000-011ff3e89e767c204d14 |
| Source of Spectrum | KC-1981-852-0 |
| Wiley ID | 1363596 |