Diisononyl phthalate
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Antwerp_Univ-AN112511
Dataset description:
This MassBank record with Accession MSBNK-Antwerp_Univ-AN112511 contains the MS2 mass spectrum of Diisononyl phthalate with the InChIkey HBGGXOJOCNVPFY-UHFFFAOYSA-N.
Source: Diisononyl phthalate
Chemical Info
| InChI | InChI=1S/C26H42O4/c1-21(2)15-9-5-7-13-19-29-25(27)23-17-11-12-18-24(23)26(28)30-20-14-8-6-10-16-22(3)4/h11-12,17-18,21-22H,5-10,13-16,19-20H2,1-4H3 |
|---|---|
| SMILES | CC(C)CCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCC(C)C |
| InChI Key | HBGGXOJOCNVPFY-UHFFFAOYSA-N |
| Molecular Formula | C26H42O4 |
| Exact Mass | 418.308 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 | 010fd019-6dff-45be-88d1-e7805bff4df0 |
| Package id | msbnk-antwerp_univ-an112511 |
| Resource type | HTML |
| State | active |