Tri-n-hexyl trimellitate
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-AN111603
Dataset description:
This MassBank record with Accession MSBNK-Antwerp_Univ-AN111603 contains the MS2 mass spectrum of Tri-n-hexyl trimellitate with the InChIkey MXHBQKVKHGQWRB-UHFFFAOYSA-N.
Source: Tri-n-hexyl trimellitate
Chemical Info
| InChI | InChI=1S/C27H42O6/c1-4-7-10-13-18-31-25(28)22-16-17-23(26(29)32-19-14-11-8-5-2)24(21-22)27(30)33-20-15-12-9-6-3/h16-17,21H,4-15,18-20H2,1-3H3 |
|---|---|
| SMILES | CCCCCCOC(=O)C1=CC(=C(C=C1)C(=O)OCCCCCC)C(=O)OCCCCCC |
| InChI Key | MXHBQKVKHGQWRB-UHFFFAOYSA-N |
| Molecular Formula | C27H42O6 |
| Exact Mass | 462.298 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 | e929f157-1274-4791-9054-34ebb0f4f61c |
| Package id | msbnk-antwerp_univ-an111603 |
| Resource type | HTML |
| State | active |