Dataset
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 |
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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 |
Data and Resources
Metadata Information
Field | Value |
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DOI | |
License URL | |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-AN111712 |
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Author | |
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MetadataCreated | 2024-01-11T09:29:36.544549 |
MetadataModified | 2024-01-11T09:29:36.698222 |
MetadataPublished | 2021-08-02 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |