| SpectraBase Spectrum ID |
3NeiB742ARC |
| Name |
11H-Dibenzo[B,E][1,4]dioxepin-9-carboxylic acid, 6-hydroxy-3-methoxy-1,8-dimethyl-11-oxo-, methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
344.089602848 u |
| Formula |
C18H16O7 |
| InChI |
InChI=1S/C18H16O7/c1-8-5-10(22-3)7-12-13(8)18(21)25-16-14(17(20)23-4)9(2)6-11(19)15(16)24-12/h5-7,19H,1-4H3 |
| InChIKey |
BHWAGVBPAFTBBT-UHFFFAOYSA-N |
| Molecular Weight |
344.319 g/mol |
| SMILES |
C=12C(OC3=CC(OC)=CC(=C3C(O2)=O)C)=C(O)C=C(C1C(=O)OC)C |
![11H-Dibenzo[b,e][1,4]dioxepin-9-carboxylic acid, 6-hydroxy-3-methoxy-1,8-dimethyl-11-oxo-, methyl ester](/api/spectrum/3NeiB742ARC/structure.png?h=300&w=458 "11H-Dibenzo[b,e][1,4]dioxepin-9-carboxylic acid, 6-hydroxy-3-methoxy-1,8-dimethyl-11-oxo-, methyl ester")
