Vanillic acid
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003126
Dataset description:
This MassBank record with Accession MSBNK-BS-BS003126 contains the MS2 mass spectrum of Vanillic acid with the InChIkey WKOLLVMJNQIZCI-UHFFFAOYSA-N.
Source: Vanillic acid
Chemical Info
| InChI | InChI=1S/C8H8O4/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3,(H,10,11) |
|---|---|
| SMILES | C(OC1=C(C(=C(C(=C1[H])C(=O)O[H])[H])[H])O[H])([H])([H])[H] |
| InChI Key | WKOLLVMJNQIZCI-UHFFFAOYSA-N |
| Molecular Formula | C8H8O4 |
| Exact Mass | 168.042 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-ShareAlike 4.0 International (CC BY-NC-SA 4.0) |
| Id | 8a1bb4a0-de4b-4606-9078-c47e7285f8fe |
| Package id | msbnk-bs-bs003126 |
| Resource type | HTML |
| State | active |