Sinapoyl malate-4'-methyl ester (NMR)
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS001042
Dataset description:
This MassBank record with Accession MSBNK-BS-BS001042 contains the MS2 mass spectrum of Sinapoyl malate-4'-methyl ester (NMR) with the InChIkey YAPSBOBZXRDEJO-SNAWJCMRSA-N.
Chemical Info
| InChI | InChI=1S/C16H18O9/c1-22-10-6-9(7-11(23-2)15(10)19)4-5-13(17)25-12(16(20)21)8-14(18)24-3/h4-7,12,19H,8H2,1-3H3,(H,20,21)/b5-4+ |
|---|---|
| SMILES | C1=C(OC)C(=C(OC)C=C1/C=C/C(OC(CC(OC)=O)C(O)=O)=O)O |
| InChI Key | YAPSBOBZXRDEJO-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 | 59c314e6-e2cf-4fcd-ab5c-948f4d71581b |
| Package id | msbnk-bs-bs001042 |
| Resource type | HTML |
| State | active |