2-{[5,6-Dihydroxy-3-(methoxycarbonyl)-3-cyclohexen-1-yl]oxy}propanoic acid
8000
Reference
2-{[5,6-Dihydroxy-3-(methoxycarbonyl)-3-cyclohexen-1-yl]oxy}propanoic acid Structure
Systematic / IUPAC Name: 2-(5,6-Dihydroxy-3-methoxycarbonylcyclohex-3-en-1-yl)oxypropanoic acid
ID: Reference8000
Other Names: 1-Cyclohexene-1-carboxylic acid, 5-(1-carboxyethoxy)-3,4-dihydroxy-, 1-methyl ester
Formula: C11H16O7
Spectral Data
2-{[5,6-Dihydroxy-3-(methoxycarbonyl)-3-cyclohexen-1-yl]oxy}propanoic acid 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 |
| No. of Spectral Trees | 1 |
| No. of Spectra | 162 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 5/24/2018 12:38:46 PM |
Identificators
| InChI | InChI=1S/C11H16O7/c1-5(10(14)15)18-8-4-6(11(16)17-2)3-7(12)9(8)13/h3,5,7-9,12-13H,4H2,1-2H3,(H,14,15) |
| InChI Key | QEIITRXHOIHGMT-UHFFFAOYSA-N |
| Canonical SMILES | CC(C(=O)O)OC1CC(=CC(C1O)O)C(=O)OC |
| CAS | |
| Splash | |
| Other Names | 1-Cyclohexene-1-carboxylic acid, 5-(1-carboxyethoxy)-3,4-dihydroxy-, 1-methyl ester |