7-Methylsulfenylheptyl isothiocyanate
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR303494
Dataset description:
This MassBank record with Accession MSBNK-RIKEN-PR303494 contains the MS2 mass spectrum of 7-Methylsulfenylheptyl isothiocyanate with the InChIkey LDIRGNDMTOGVRB-UHFFFAOYSA-N.
Chemical Info
| InChI | InChI=1S/C9H17NS2/c1-12-8-6-4-2-3-5-7-10-9-11/h2-8H2,1H3 |
|---|---|
| SMILES | CSCCCCCCCN=C=S |
| InChI Key | LDIRGNDMTOGVRB-UHFFFAOYSA-N |
| Molecular Formula | C9H17NS2 |
| Exact Mass | 203.372 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-NonCommercial-ShareAlike 4.0 International (CC BY-NC-SA 4.0) |
| Id | 6d485589-b9a7-46af-836a-abbee0d1fe92 |
| Package id | msbnk-riken-pr303494 |
| Resource type | HTML |
| State | active |