Mono-iso-butyl phthalate
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-UFZ-UF420602
Dataset description:
This MassBank record with Accession MSBNK-UFZ-UF420602 contains the MS2 mass spectrum of Mono-iso-butyl phthalate with the InChIkey WXVFMRKUWGIPRB-UHFFFAOYSA-N.
Source: Mono-iso-butyl phthalate
Chemical Info
| InChI | InChI=1S/C12H14O4/c1-7(2)6-8-4-3-5-9(11(13)14)10(8)12(15)16/h3-5,7H,6H2,1-2H3,(H,13,14)(H,15,16) |
|---|---|
| SMILES | CC(C)CC1=CC=CC(C(O)=O)=C1C(O)=O |
| InChI Key | WXVFMRKUWGIPRB-UHFFFAOYSA-N |
| Molecular Formula | C12H14O4 |
| Exact Mass | 222.089 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 | 3118f964-09d5-40d8-9b6a-467e264e0c16 |
| Package id | msbnk-ufz-uf420602 |
| Resource type | HTML |
| State | active |