Irgarol
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU400801
Dataset description:
This MassBank record with Accession MSBNK-Athens_Univ-AU400801 contains the MS2 mass spectrum of Irgarol with the InChIkey HDHLIWCXDDZUFH-UHFFFAOYSA-N.
Source: Irgarol
Chemical Info
| InChI | InChI=1S/C11H19N5S/c1-11(2,3)16-9-13-8(12-7-5-6-7)14-10(15-9)17-4/h7H,5-6H2,1-4H3,(H2,12,13,14,15,16) |
|---|---|
| SMILES | CSC1=NC(NC(C)(C)C)=NC(NC2CC2)=N1 |
| InChI Key | HDHLIWCXDDZUFH-UHFFFAOYSA-N |
| Molecular Formula | C11H19N5S |
| Exact Mass | 253.136 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 | 4ff187c3-51e1-42f7-bc87-ee1243e6b15e |
| Package id | msbnk-athens_univ-au400801 |
| Resource type | HTML |
| State | active |