Dataset

8-Methylsulfinyloctyl isothiocyanate

This MassBank record with Accession MSBNK-RIKEN-PR307237 contains the MS2 mass spectrum of 8-Methylsulfinyloctyl isothiocyanate with the InChIkey BCRXKWOQVFKZAG-UHFFFAOYSA-N.

Chemical Info

molecular Image
InChI InChI=1S/C10H19NOS2/c1-14(12)9-7-5-3-2-4-6-8-11-10-13/h2-9H2,1H3
SMILES CS(=O)CCCCCCCCN=C=S
InChI Key BCRXKWOQVFKZAG-UHFFFAOYSA-N
Molecular Formula C10H19NOS2
Exact Mass 233.398 g/mol

Data and Resources

Metadata Information

Field Value
DOI
License URL https://creativecommons.org/licenses/by-nc-sa/4.0
Source https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR307237
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MetadataCreated 2024-01-11T20:30:06.044751
MetadataModified 2025-02-09T18:39:53.360673
MetadataPublished 2019-03-28
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