Tris(2-ethylhexyl)trimellitate
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-AN111714
Dataset description:
This MassBank record with Accession MSBNK-Antwerp_Univ-AN111714 contains the MS2 mass spectrum of Tris(2-ethylhexyl)trimellitate with the InChIkey KRADHMIOFJQKEZ-UHFFFAOYSA-N.
Source: Tris(2-ethylhexyl)trimellitate
Chemical Info
| InChI | InChI=1S/C33H54O6/c1-7-13-16-25(10-4)22-37-31(34)28-19-20-29(32(35)38-23-26(11-5)17-14-8-2)30(21-28)33(36)39-24-27(12-6)18-15-9-3/h19-21,25-27H,7-18,22-24H2,1-6H3 |
|---|---|
| SMILES | CCCCC(CC)COC(=O)C1=CC(=C(C=C1)C(=O)OCC(CC)CCCC)C(=O)OCC(CC)CCCC |
| InChI Key | KRADHMIOFJQKEZ-UHFFFAOYSA-N |
| Molecular Formula | C33H54O6 |
| Exact Mass | 546.392 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 | No License Provided |
| Id | 803cc4de-70c5-4cdb-b6e7-e2d7fa7c4a06 |
| Package id | msbnk-antwerp_univ-an111714 |
| Resource type | HTML |
| State | active |