Sinapoyl malate-1'-methyl ester (NMR)
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS001049
Dataset description:
This MassBank record with Accession MSBNK-BS-BS001049 contains the MS2 mass spectrum of Sinapoyl malate-1'-methyl ester (NMR) with the InChIkey UBQMBIFYXNOHMG-SNAWJCMRSA-N.
Chemical Info
| InChI | InChI=1S/C16H18O9/c1-22-10-6-9(7-11(23-2)15(10)20)4-5-14(19)25-12(8-13(17)18)16(21)24-3/h4-7,12,20H,8H2,1-3H3,(H,17,18)/b5-4+ |
|---|---|
| SMILES | C1=C(OC)C(=C(OC)C=C1/C=C/C(OC(CC(=O)O)C(OC)=O)=O)O |
| InChI Key | UBQMBIFYXNOHMG-SNAWJCMRSA-N |
| Molecular Formula | C16H18O9 |
| Exact Mass | 354.095 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 | 3941ad6f-a07a-4949-9a82-3ccd7c92a5e5 |
| Package id | msbnk-bs-bs001049 |
| Resource type | HTML |
| State | active |