Valerophenone
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-NaToxAq-NA001867
Dataset description:
This MassBank record with Accession MSBNK-NaToxAq-NA001867 contains the MS2 mass spectrum of Valerophenone with the InChIkey XKGLSKVNOSHTAD-UHFFFAOYSA-N.
Source: Valerophenone
Chemical Info
| InChI | InChI=1S/C11H14O/c1-2-3-9-11(12)10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3 |
|---|---|
| SMILES | CCCCC(=O)C1=CC=CC=C1 |
| InChI Key | XKGLSKVNOSHTAD-UHFFFAOYSA-N |
| Molecular Formula | C11H14O |
| Exact Mass | 162.105 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 4.0 International (CC BY 4.0) |
| Id | 17c01932-c64a-46ce-8707-5e4546173693 |
| Package id | msbnk-natoxaq-na001867 |
| Resource type | HTML |
| State | active |