Dataset
mass spectrometry (MS)
Chemical Info
InChI | InChI=1S/C16H18OS2/c17-14-8-4-7-13(11-14)15(16-18-9-10-19-16)12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2 |
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SMILES | O=C1CCCC(C1)C(=C1SCCS1)c1ccccc1 |
InChI Key | XDXILYAJVPWYNR-UHFFFAOYSA-N |
Molecular Formula | C16H18OS2 |
Exact Mass | 290.444 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/XDXILYAJVPWYNR-UHFFFAOYSA-N/Mass |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/XDXILYAJVPWYNR-UHFFFAOYSA-N/Mass |
Version | |
Author | Simone Gräßle |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-06T22:27:30.229836 |
MetadataModified | 2024-09-07T14:25:58.862505 |
MetadataPublished | 2018-05-16 |
Field | Value |
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Measurement Technique | mass spectrometry |
Measurement Variables |