| SpectraBase Spectrum ID |
HcEGgKzMi8h |
| Name |
1',1'',5'-Trimethyl-2'-methoxy-3'-chloro-3"-hydroxy-4"-formyl-1,4-dioxadibenzo[2,3-e : 5,6-b']cycloheptan-7-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H15ClO6 |
| InChI |
InChI=1S/C18H15ClO6/c1-7-5-11(21)10(6-20)17-12(7)18(22)25-16-9(3)14(23-4)13(19)8(2)15(16)24-17/h5-6,21H,1-4H3 |
| InChIKey |
FZBRFXCENCOJRK-UHFFFAOYSA-N |
| Molecular Weight |
362.765 g/mol |
| SMILES |
Oc1c(c2c(C(Oc3c(O2)c(c(Cl)c(c3C)OC)C)=O)c(c1)C)C=O |
| SPLASH |
splash10-01t9-0009000000-a52ce3902088717e1752 |
| Source of Spectrum |
G4-70-318-1 |
| Synonyms |
Parellin
2-chloro-9-hydroxy-3-methoxy-1,4,7-trimethyl-6-oxo-10-benzo[b][1,4]benzodioxepincarboxaldehyde
2-chloro-9-hydroxy-3-methoxy-1,4,7-trimethyl-6-oxobenzo[b][1,4]benzodioxepine-10-carbaldehyde
2-chloro-9-hydroxy-3-methoxy-1,4,7-trimethyl-6-oxo-benzo[b][1,4]benzodioxepine-10-carbaldehyde
2-chloranyl-3-methoxy-1,4,7-trimethyl-9-oxidanyl-6-oxidanylidene-benzo[b][1,4]benzodioxepine-10-carbaldehyde |
| Wiley ID |
1694870 |
