Dataset
gas chromatography-mass spectrometry (GCMS)
Chemical Info
InChI | InChI=1S/C12H14OS2/c1-9(13)10-4-2-5-11(8-10)12-14-6-3-7-15-12/h2,4-5,8,12H,3,6-7H2,1H3 |
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SMILES | CC(=O)c1cccc(c1)C1SCCCS1 |
InChI Key | PRBDSASHNJATKQ-UHFFFAOYSA-N |
Molecular Formula | C12H14OS2 |
Exact Mass | 238.369 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/PRBDSASHNJATKQ-UHFFFAOYSA-N/Mass/GCMS |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/PRBDSASHNJATKQ-UHFFFAOYSA-N/Mass/GCMS |
Version | |
Author | Simone Gräßle |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-06T23:25:10.425788 |
MetadataModified | 2024-09-07T12:34:05.696046 |
MetadataPublished | 2014-05-27 |
Field | Value |
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Measurement Technique | gas chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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73427415 | PubChem |
The data in this table is sourced from UniChem at EBI. |