Phenobarbital
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Waters-WA001227
Dataset description:
This MassBank record with Accession MSBNK-Waters-WA001227 contains the MS mass spectrum of Phenobarbital with the InChIkey DDBREPKUVSBGFI-UHFFFAOYSA-N.
Source: Phenobarbital
Chemical Info
| InChI | InChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17) |
|---|---|
| SMILES | CCC(C(=O)2)(C(=O)NC(=O)N2)c(c1)cccc1 |
| InChI Key | DDBREPKUVSBGFI-UHFFFAOYSA-N |
| Molecular Formula | C12H12N2O3 |
| Exact Mass | 232.085 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | January 11, 2024 |
| Metadata last updated | January 11, 2024 |
| Created | January 11, 2024 |
| Format | HTML |
| License | Attribution-NonCommercial 4.0 International (CC BY-NC 4.0) |
| Id | 3011a692-0ae3-4b54-a0f2-147df962f84d |
| Package id | msbnk-waters-wa001227 |
| Resource type | HTML |
| State | active |