Dataset
1H nuclear magnetic resonance spectroscopy (1H NMR)
Chemical Info
InChI | InChI=1S/C12H14O2S2/c1-9(13)15-7-11-3-5-12(6-4-11)8-16-10(2)14/h3-6H,7-8H2,1-2H3 |
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SMILES | CC(=O)SCc1ccc(cc1)CSC(=O)C |
InChI Key | LMMQNTZMZDKEPJ-UHFFFAOYSA-N |
Molecular Formula | C12H14O2S2 |
Exact Mass | 254.368 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/LMMQNTZMZDKEPJ-UHFFFAOYSA-N/NMR/1H/CDCl3/400 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/LMMQNTZMZDKEPJ-UHFFFAOYSA-N/NMR/1H/CDCl3/400 |
Version | |
Author | Mathias Lang |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-06T23:57:41.457776 |
MetadataModified | 2024-09-07T13:22:40.203196 |
MetadataPublished | 2014-05-27 |
Field | Value |
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Measurement Technique | 1H nuclear magnetic resonance spectroscopy |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
15367425 | PubChem: Thomson Pharma |
36775184 | eMolecules |
10354975 | PubChem |
The data in this table is sourced from UniChem at EBI. |