5-Chloro-4,6,8-trihydroxy-7-methoxy-3-methyl-3,4-dihydro-1H-isochromen-1-one
7544
Reference
5-Chloro-4,6,8-trihydroxy-7-methoxy-3-methyl-3,4-dihydro-1H-isochromen-1-one Structure
Systematic / IUPAC Name: 5-Chloro-4,6,8-trihydroxy-7-methoxy-3-methyl-3,4-dihydro-1H-isochromen-1-one
ID: Reference7544
Other Names: 1H-2-Benzopyran-1-one, 5-chloro-3,4-dihydro-4,6,8-trihydroxy-7-methoxy-3-methyl-
Formula: C11H11ClO6
Spectral Data
5-Chloro-4,6,8-trihydroxy-7-methoxy-3-methyl-3,4-dihydro-1H-isochromen-1-one mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP ; Orbitrap Fusion Lumos with ETD LBP FAIMS |
| No. of Spectral Trees | 2 |
| No. of Spectra | 324 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 3/14/2018 1:14:43 PM |
Identificators
| InChI | InChI=1S/C11H11ClO6/c1-3-7(13)4-5(11(16)18-3)8(14)10(17-2)9(15)6(4)12/h3,7,13-15H,1-2H3 |
| InChI Key | DBVYXSAJCKJIRR-UHFFFAOYSA-N |
| Canonical SMILES | CC1C(C2=C(C(=C(C(=C2Cl)O)OC)O)C(=O)O1)O |
| CAS | |
| Splash | |
| Other Names | 1H-2-Benzopyran-1-one, 5-chloro-3,4-dihydro-4,6,8-trihydroxy-7-methoxy-3-methyl- |