Scopoletin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00378
Dataset description:
This MassBank record with Accession MSBNK-Washington_State_Univ-BML00378 contains the MS2 mass spectrum of Scopoletin with the InChIkey RODXRVNMMDRFIK-UHFFFAOYSA-N.
Source: Scopoletin
Chemical Info
| InChI | InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1)C=CC(=O)O2)O |
| InChI Key | RODXRVNMMDRFIK-UHFFFAOYSA-N |
| Molecular Formula | C10H8O4 |
| Exact Mass | 192.042 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-ShareAlike 4.0 International (CC BY-SA 4.0) |
| Id | 406f246d-9613-4c00-91da-5414a3ebdc58 |
| Package id | msbnk-washington_state_univ-bml00378 |
| Resource type | HTML |
| State | active |