Barbital
8408
Reference
Barbital Structure
Systematic / IUPAC Name: 5,5-Diethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
ID: Reference8408
Other Names:
Barbitone;
5,5-Diethylbarbituric Acid;
NSC 31352
Formula: C8H12N2O3
Class: Therapeutics/Prescription Drugs Drugs of Abuse/Illegal Drugs Sports Doping Drugs
Spectral Data
Barbital 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 Plus Orbitrap |
| No. of Spectral Trees | 1 |
| No. of Spectra | 55 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 12/4/2018 11:51:24 AM |
Identificators
| InChI | InChI=1S/C8H12N2O3/c1-3-8(4-2)5(11)9-7(13)10-6(8)12/h3-4H2,1-2H3,(H2,9,10,11,12,13) |
| InChI Key | FTOAOBMCPZCFFF-UHFFFAOYSA-N |
| Canonical SMILES | O=C1C(CC)(CC)C(NC(N1)=O)=O |
| CAS | 57443 |
| Splash | |
| Other Names |
Barbitone; 5,5-Diethylbarbituric Acid; NSC 31352 |