3-Hydroxy-2,6-bis(hydroxymethyl)-4H-pyran-4-one
8445
Reference
3-Hydroxy-2,6-bis(hydroxymethyl)-4H-pyran-4-one Structure
Systematic / IUPAC Name: 3-Hydroxy-2,6-bis(hydroxymethyl)pyran-4-one
ID: Reference8445
Other Names: 3-Hydroxy-2,6-bis(hydroxymethyl)-4-pyrone
Formula: C7H8O5
Spectral Data
3-Hydroxy-2,6-bis(hydroxymethyl)-4H-pyran-4-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 | Q Exactive Orbitrap |
| No. of Spectral Trees | 2 |
| No. of Spectra | 180 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 12/11/2018 10:39:50 AM |
Identificators
| InChI | InChI=1S/C7H8O5/c8-2-4-1-5(10)7(11)6(3-9)12-4/h1,8-9,11H,2-3H2 |
| InChI Key | YZUXYQQFVNGYCA-UHFFFAOYSA-N |
| Canonical SMILES | C1=C(OC(=C(C1=O)O)CO)CO |
| CAS | |
| Splash | |
| Other Names | 3-Hydroxy-2,6-bis(hydroxymethyl)-4-pyrone |