DEET
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU335302
Dataset description:
This MassBank record with Accession MSBNK-Athens_Univ-AU335302 contains the MS2 mass spectrum of DEET with the InChIkey MMOXZBCLCQITDF-UHFFFAOYSA-N.
Source: DEET
Chemical Info
| InChI | InChI=1S/C12H17NO/c1-4-13(5-2)12(14)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3 |
|---|---|
| SMILES | CCN(CC)C(=O)C1=CC(C)=CC=C1 |
| InChI Key | MMOXZBCLCQITDF-UHFFFAOYSA-N |
| Molecular Formula | C12H17NO |
| Exact Mass | 191.131 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 | d98daafe-3aae-453c-b38b-eb8a65ba9c3e |
| Package id | msbnk-athens_univ-au335302 |
| Resource type | HTML |
| State | active |