Dataset
13C nuclear magnetic resonance spectroscopy (13C NMR)
Chemical Info
InChI | InChI=1S/C16H16S2/c1-2-5-13(6-3-1)14-7-9-15(10-8-14)16-17-11-4-12-18-16/h1-3,5-10,16H,4,11-12H2 |
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SMILES | C1CSC(SC1)c1ccc(cc1)c1ccccc1 |
InChI Key | NNNDWNVTLKPUSU-UHFFFAOYSA-N |
Molecular Formula | C16H16S2 |
Exact Mass | 272.428 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/NNNDWNVTLKPUSU-UHFFFAOYSA-N/NMR/13C/CDCL3/75 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/NNNDWNVTLKPUSU-UHFFFAOYSA-N/NMR/13C/CDCL3/75 |
Version | |
Author | Simone Gräßle |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-06T22:55:47.250388 |
MetadataModified | 2024-09-07T12:22:18.573409 |
MetadataPublished | 2014-05-27 |
Field | Value |
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Measurement Technique | 13C nuclear magnetic resonance spectroscopy |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
DTXSID70567372 | EPA CompTox Dashboard |
J501.813G | Nikkaji |
15040193 | PubChem |
SCHEMBL11612135 | SureChEMBL |
36780511 | eMolecules |
The data in this table is sourced from UniChem at EBI. |