Coumaphos
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU113602
Dataset description:
This MassBank record with Accession MSBNK-Athens_Univ-AU113602 contains the MS2 mass spectrum of Coumaphos with the InChIkey BXNANOICGRISHX-UHFFFAOYSA-N.
Source: Coumaphos
Chemical Info
| InChI | InChI=1S/C14H16ClO5PS/c1-4-17-21(22,18-5-2)20-10-6-7-11-9(3)13(15)14(16)19-12(11)8-10/h6-8H,4-5H2,1-3H3 |
|---|---|
| SMILES | CCOP(=S)(OCC)Oc1ccc2c(c(c(=O)oc2c1)Cl)C |
| InChI Key | BXNANOICGRISHX-UHFFFAOYSA-N |
| Molecular Formula | C14H16ClO5PS |
| Exact Mass | 362.014 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 | b4125b33-f571-4580-83da-d670226b1526 |
| Package id | msbnk-athens_univ-au113602 |
| Resource type | HTML |
| State | active |