Dataset
gas chromatography-mass spectrometry (GCMS)
Chemical Info
InChI | InChI=1S/C12H22S2/c1-11(2,3)10-4-6-12(7-5-10)13-8-9-14-12/h10H,4-9H2,1-3H3 |
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SMILES | CC(C1CCC2(CC1)SCCS2)(C)C |
InChI Key | VESOTKHMMXADSO-UHFFFAOYSA-N |
Molecular Formula | C12H22S2 |
Exact Mass | 230.433 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/VESOTKHMMXADSO-UHFFFAOYSA-N/Mass/GCMS |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/VESOTKHMMXADSO-UHFFFAOYSA-N/Mass/GCMS |
Version | |
Author | Simone Gräßle |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-06T23:23:01.678232 |
MetadataModified | 2024-09-07T12:30:46.657550 |
MetadataPublished | 2014-05-27 |
Field | Value |
---|---|
Measurement Technique | gas chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
12616133 | PubChem |
WIKVUH | CCDC |
J362.400E | Nikkaji |
DTXSID70504444 | EPA CompTox Dashboard |
The data in this table is sourced from UniChem at EBI. |