Phenthoate
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ01129207
Dataset description:
This MassBank record with Accession MSBNK-Eawag-EQ01129207 contains the MS2 mass spectrum of Phenthoate with the InChIkey XAMUDJHXFNRLCY-UHFFFAOYSA-N.
Source: Phenthoate
Chemical Info
| InChI | InChI=1S/C12H17O4PS2/c1-4-16-12(13)11(10-8-6-5-7-9-10)19-17(18,14-2)15-3/h5-9,11H,4H2,1-3H3 |
|---|---|
| SMILES | CCOC(=O)C(C1=CC=CC=C1)SP(=S)(OC)OC |
| InChI Key | XAMUDJHXFNRLCY-UHFFFAOYSA-N |
| Molecular Formula | C12H17O4PS2 |
| Exact Mass | 320.031 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-ShareAlike 4.0 International (CC BY-SA 4.0) |
| Id | 8429580f-596a-405a-a1ed-b0ae495b2969 |
| Package id | msbnk-eawag-eq01129207 |
| Resource type | HTML |
| State | active |