Butralin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EQ00351105
Dataset description:
This MassBank record with Accession MSBNK-Eawag-EQ00351105 contains the MS2 mass spectrum of Butralin with the InChIkey SPNQRCTZKIBOAX-UHFFFAOYSA-N.
Source: Butralin
Chemical Info
| InChI | InChI=1S/C14H21N3O4/c1-6-9(2)15-13-11(16(18)19)7-10(14(3,4)5)8-12(13)17(20)21/h7-9,15H,6H2,1-5H3 |
|---|---|
| SMILES | CCC(C)NC1=C(C=C(C=C1[N+](=O)[O-])C(C)(C)C)[N+](=O)[O-] |
| InChI Key | SPNQRCTZKIBOAX-UHFFFAOYSA-N |
| Molecular Formula | C14H21N3O4 |
| Exact Mass | 295.153 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | February 9, 2025 |
| Metadata last updated | February 9, 2025 |
| Created | February 9, 2025 |
| Format | HTML |
| License | Attribution-ShareAlike 4.0 International (CC BY-SA 4.0) |
| Id | 0d95830a-0a20-4dad-9a18-cba9b3f630a4 |
| Package id | msbnk-eawag-eq00351105 |
| Resource type | HTML |
| State | active |