| SpectraBase Spectrum ID |
3xQwAfN2Sa8 |
| Name |
11H-Dibenzo[B,E][1,4]dioxepin-7-carboxylic acid, 8-hydroxy-3-methoxy-11-oxo-1,6-dipropyl- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
386.136553041 u |
| Formula |
C21H22O7 |
| InChI |
InChI=1S/C21H22O7/c1-4-6-11-8-12(26-3)9-15-17(11)21(25)28-16-10-14(22)18(20(23)24)13(7-5-2)19(16)27-15/h8-10,22H,4-7H2,1-3H3,(H,23,24) |
| InChIKey |
LWVHZHJOXWPWHN-UHFFFAOYSA-N |
| Molecular Weight |
386.400 g/mol |
| SMILES |
C1(C=2C(OC=3C(O1)=CC(=C(C(=O)O)C3CCC)O)=CC(=CC2CCC)OC)=O |
![11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 8-hydroxy-3-methoxy-11-oxo-1,6-dipropyl-](/api/spectrum/3xQwAfN2Sa8/structure.png?h=300&w=458 "11H-Dibenzo[b,e][1,4]dioxepin-7-carboxylic acid, 8-hydroxy-3-methoxy-11-oxo-1,6-dipropyl-")
