Methyl (3S,3aS,4aR,7aS,9aS,9bS)-3-ethyl-2-oxo-3,3a,7a,9b-tetrahydro-2H,4aH-1,4,5-trioxadicyclopenta[a,hi]indene-7-carboxylate
7614
Reference
Methyl (3S,3aS,4aR,7aS,9aS,9bS)-3-ethyl-2-oxo-3,3a,7a,9b-tetrahydro-2H,4aH-1,4,5-trioxadicyclopenta[a,hi]indene-7-carboxylate Structure
Systematic / IUPAC Name: Methyl (3S,3aS,4aR,7aS,9aS,9bS)-3-ethyl-2-oxo-3,3a,7a,9b-tetrahydro-2H,4aH-1,4,5-trioxadicyclopenta[a,hi]indene-7-carboxylate
ID: Reference7614
Other Names: 2H,4aH-1,4,5-Trioxadicyclopent[a,hi]indene-7-carboxylic acid, 3-ethyl-3,3a,7a,9b-tetrahydro-2-oxo-, methyl ester, (3S,3aS,4aR,7aS,9aS,9bS)-
Formula: C15H16O6
Spectral Data
Methyl (3S,3aS,4aR,7aS,9aS,9bS)-3-ethyl-2-oxo-3,3a,7a,9b-tetrahydro-2H,4aH-1,4,5-trioxadicyclopenta[a,hi]indene-7-carboxylate 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 FAIMS |
| No. of Spectral Trees | 1 |
| No. of Spectra | 162 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | NSI |
| Analyzers | FT |
| Last Modification | 3/26/2018 5:43:43 AM |
Identificators
| InChI | InChI=1S/C15H16O6/c1-3-7-11-15(21-13(7)17)5-4-8-9(12(16)18-2)6-19-14(20-11)10(8)15/h4-8,10-11,14H,3H2,1-2H3/t7-,8+,10+,11?,14+,15-/m0/s1 |
| InChI Key | LEYGRBGYJYVHJL-ZKQFBGJWSA-N |
| Canonical SMILES | CCC1C2C3(C=CC4C3C(O2)OC=C4C(=O)OC)OC1=O |
| CAS | |
| Splash | |
| Other Names | 2H,4aH-1,4,5-Trioxadicyclopent[a,hi]indene-7-carboxylic acid, 3-ethyl-3,3a,7a,9b-tetrahydro-2-oxo-, methyl ester, (3S,3aS,4aR,7aS,9aS,9bS)- |