Dataset
1H nuclear magnetic resonance spectroscopy (1H NMR)
Chemical Info
InChI | InChI=1S/C15H16S2/c1-15(16-9-4-10-17-15)14-8-7-12-5-2-3-6-13(12)11-14/h2-3,5-8,11H,4,9-10H2,1H3 |
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SMILES | CC1(SCCCS1)c1ccc2c(c1)cccc2 |
InChI Key | YBWHVXDRVWGCNO-UHFFFAOYSA-N |
Molecular Formula | C15H16S2 |
Exact Mass | 260.418 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/YBWHVXDRVWGCNO-UHFFFAOYSA-N/NMR/1H/CDCL3/400 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/YBWHVXDRVWGCNO-UHFFFAOYSA-N/NMR/1H/CDCL3/400 |
Version | |
Author | Simone Gräßle |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-06T22:56:34.391244 |
MetadataModified | 2024-09-07T12:24:10.889245 |
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 |
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598856 | PubChem |
DTXSID00344693 | EPA CompTox Dashboard |
J1.389.800F | Nikkaji |
The data in this table is sourced from UniChem at EBI. |