| SpectraBase Spectrum ID |
ItNplNyge0B |
| Name |
11H-Dibenzo[B,E][1,4]dioxepin-7-carboxylic acid, 2-chloro-4-formyl-3,8-dihydroxy-1,5,9-trimethyl-11-oxo- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
392.029895071 u |
| Formula |
C18H13ClO8 |
| InChI |
InChI=1S/C18H13ClO8/c1-5-10-16(8(4-20)13(22)11(5)19)26-14-6(2)9(17(23)24)12(21)7(3)15(14)27-18(10)25/h4,21-22H,1-3H3,(H,23,24) |
| InChIKey |
NLEQXKZDZFGBFP-UHFFFAOYSA-N |
| Molecular Weight |
392.747 g/mol |
| SMILES |
C1=2C(=C(C=O)C(=C(C2C)Cl)O)OC2=C(C(C(=O)O)=C(C(=C2OC1=O)C)O)C |
![11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 2-chloro-4-formyl-3,8-dihydroxy-1,5,9-trimethyl-11-oxo-](/api/spectrum/ItNplNyge0B/structure.png?h=300&w=458 "11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 2-chloro-4-formyl-3,8-dihydroxy-1,5,9-trimethyl-11-oxo-")
