Butyryl trihexyl citrate
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-AN111511
Dataset description:
This MassBank record with Accession MSBNK-Antwerp_Univ-AN111511 contains the MS2 mass spectrum of Butyryl trihexyl citrate with the InChIkey GWVUTNGDMGTPFE-UHFFFAOYSA-N.
Source: Butyryl trihexyl citrate
Chemical Info
| InChI | InChI=1S/C28H50O8/c1-5-9-12-15-19-33-25(30)22-28(36-24(29)18-8-4,27(32)35-21-17-14-11-7-3)23-26(31)34-20-16-13-10-6-2/h5-23H2,1-4H3 |
|---|---|
| SMILES | CCCCCCOC(=O)CC(CC(=O)OCCCCCC)(C(=O)OCCCCCC)OC(=O)CCC |
| InChI Key | GWVUTNGDMGTPFE-UHFFFAOYSA-N |
| Molecular Formula | C28H50O8 |
| Exact Mass | 514.351 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 | 220822ff-21a8-4100-a2bf-7c8eff8fa1c7 |
| Package id | msbnk-antwerp_univ-an111511 |
| Resource type | HTML |
| State | active |